Drug Details
| General Information of the Drug (ID: DR2639) | ||||
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| Name |
Venetoclax
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| Synonyms |
Venclexta
Click to Show/Hide
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| Molecular Type |
Small molecule
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| Disease | Chronic lymphocytic leukaemia [ICD-11: 2A82] | Approved | [1] | |
| Structure |
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Click to Download Mol2D MOL |
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | ||||
| Formula |
C45H50ClN7O7S
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| PubChem CID | ||||
| Canonical SMILES |
CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C
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| InChI |
1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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| InChIKey |
LQBVNQSMGBZMKD-UHFFFAOYSA-N
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| CAS Number |
CAS 1257044-40-8
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| GDSC | ||||
| TTD Drug ID | ||||
| DrugBank ID | ||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug | ||||||
| Flavopiridol | Dysoxylum binectariferum | Click to Show/Hide the Molecular Data of This NP | ||||
| Augmenting Drug Sensitivity | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Up-regulation | Expression | BCL2L11 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | MCL1 | Molecule Info |
Pathway MAP
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| In-vitro Model | NCI-H929 | CVCL_1600 | Plasma cell myeloma | Homo sapiens | ||
| U266B1 | CVCL_0566 | Plasma cell myeloma | Homo sapiens | |||
| OPM-2 | CVCL_1625 | Plasma cell myeloma | Homo sapiens | |||
| KMS-11 | CVCL_2989 | Plasma cell myeloma | Homo sapiens | |||
| RPMI-8226 | CVCL_0014 | Plasma cell myeloma | Homo sapiens | |||
| KMS-28PE | CVCL_2995 | Plasma cell myeloma | Homo sapiens | |||
| In-vivo Model | The two models employed included an orthotopic murine model (NOD/SCID-gamma mice injected intravenously via tail vein with 5*106 PS-R (bortezomib-resistant U266) stably transfected with a construct encoding luciferase) and an immunocompetent model (C57BL/KaLwR1 mice injected intravenously via tail vein with 5*106 murine MM 5TGM1 cells stably expressing luciferase. | |||||
| Experimental
Result(s) |
Flavopiridol enhances ABT-199 sensitivity in unfavourable-risk multiple myeloma cells in vitro and in vivo. | |||||
| Triptolide | Tripterygium hypoglaucum | Click to Show/Hide the Molecular Data of This NP | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [3] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Up-regulation | Expression | BBC3 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | BCL2L11 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | BID | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | CASP3 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | CASP9 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | MCL1 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | PARP1 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | PMAIP1 | Molecule Info |
Pathway MAP
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| In-vitro Model | MV4-11 | CVCL_0064 | Childhood acute monocytic leukemia | Homo sapiens | ||
| MOLM-13 | CVCL_2119 | Adult acute myeloid leukemia | Homo sapiens | |||
| U-937 | CVCL_0007 | Adult acute monocytic leukemia | Homo sapiens | |||
| THP-1 | CVCL_0006 | Childhood acute monocytic leukemia | Homo sapiens | |||
| KG-1a | CVCL_1824 | Adult acute myeloid leukemia | Homo sapiens | |||
| Experimental
Result(s) |
Combining triptolide with ABT-199 is effective against acute myeloid leukemia through reciprocal regulation of Bcl-2 family proteins and activation of the intrinsic apoptotic pathway. | |||||
| Target and Pathway | ||||
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| Target(s) | Apoptosis regulator Bcl-2 (BCL-2) | Molecule Info | [4] | |
| KEGG Pathway | NF-kappa B signaling pathway | Click to Show/Hide | ||
| 2 | HIF-1 signaling pathway | |||
| 3 | Sphingolipid signaling pathway | |||
| 4 | Protein processing in endoplasmic reticulum | |||
| 5 | PI3K-Akt signaling pathway | |||
| 6 | Apoptosis | |||
| 7 | Adrenergic signaling in cardiomyocytes | |||
| 8 | Focal adhesion | |||
| 9 | Neurotrophin signaling pathway | |||
| 10 | Cholinergic synapse | |||
| 11 | Amyotrophic lateral sclerosis (ALS) | |||
| 12 | Toxoplasmosis | |||
| 13 | Tuberculosis | |||
| 14 | Hepatitis B | |||
| 15 | Epstein-Barr virus infection | |||
| 16 | Pathways in cancer | |||
| 17 | MicroRNAs in cancer | |||
| 18 | Colorectal cancer | |||
| 19 | Prostate cancer | |||
| 20 | Small cell lung cancer | |||
| NetPath Pathway | IL5 Signaling Pathway | Click to Show/Hide | ||
| 2 | TCR Signaling Pathway | |||
| 3 | IL2 Signaling Pathway | |||
| 4 | IL3 Signaling Pathway | |||
| 5 | Leptin Signaling Pathway | |||
| 6 | RANKL Signaling Pathway | |||
| 7 | TSLP Signaling Pathway | |||
| Panther Pathway | Apoptosis signaling pathway | Click to Show/Hide | ||
| 2 | Oxidative stress response | |||
| 3 | CCKR signaling map ST | |||
| Pathway Interaction Database | Role of Calcineurin-dependent NFAT signaling in lymphocytes | Click to Show/Hide | ||
| 2 | IL2-mediated signaling events | |||
| 3 | IL2 signaling events mediated by PI3K | |||
| 4 | Ceramide signaling pathway | |||
| 5 | Direct p53 effectors | |||
| 6 | RXR and RAR heterodimerization with other nuclear receptor | |||
| 7 | ATF-2 transcription factor network | |||
| 8 | C-MYB transcription factor network | |||
| 9 | HIV-1 Nef: Negative effector of Fas and TNF-alpha | |||
| 10 | Caspase Cascade in Apoptosis | |||
| 11 | Signaling events mediated by Stem cell factor receptor (c-Kit) | |||
| 12 | EPO signaling pathway | |||
| 13 | IL2 signaling events mediated by STAT5 | |||
| 14 | Validated targets of C-MYC transcriptional repression | |||
| Reactome | Activation of BAD and translocation to mitochondria | Click to Show/Hide | ||
| 2 | BH3-only proteins associate with and inactivate anti-apoptotic BCL-2 members | |||
| 3 | The NLRP1 inflammasome | |||
| WikiPathways | DNA Damage Response (only ATM dependent) | Click to Show/Hide | ||
| 2 | Senescence and Autophagy in Cancer | |||
| 3 | IL-2 Signaling Pathway | |||
| 4 | FAS pathway and Stress induction of HSP regulation | |||
| 5 | Focal Adhesion | |||
| 6 | Kit receptor signaling pathway | |||
| 7 | IL-3 Signaling Pathway | |||
| 8 | Nucleotide-binding domain, leucine rich repeat containing receptor (NLR) signaling pathways | |||
| 9 | Apoptosis | |||
| 10 | Nanoparticle triggered autophagic cell death | |||
| 11 | Amyotrophic lateral sclerosis (ALS) | |||
| 12 | Integrated Pancreatic Cancer Pathway | |||
| 13 | Corticotropin-releasing hormone | |||
| 14 | Interleukin-11 Signaling Pathway | |||
| 15 | Prostate Cancer | |||
| 16 | miR-targeted genes in muscle cell - TarBase | |||
| 17 | miR-targeted genes in lymphocytes - TarBase | |||
| 18 | miR-targeted genes in leukocytes - TarBase | |||
| 19 | Integrated Breast Cancer Pathway | |||
| 20 | Integrated Cancer pathway | |||
| 21 | Intrinsic Pathway for Apoptosis | |||
| 22 | Apoptosis Modulation and Signaling | |||
| 23 | TP53 Network | |||
| 24 | Influenza A virus infection | |||
| 25 | IL-5 Signaling Pathway | |||
