Drug Details
| General Information of the Drug (ID: DR7260) | ||||
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| Name |
VE-465
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| Synonyms |
CHEMBL484609; VE-465; 639089-73-9; N-[4-[[4-(4-Methyl-1-piperazinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]-propanamide; N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide; SCHEMBL1080455; SCHEMBL12430853; BDBM50277639; 135408-EP2292614A1; N-(4-(4-(5-methyl-1H-pyrazol-3-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylthio)phenyl)propionamide; N-{4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2-ylsulfanyl]-phenyl}-propionamide
Click to Show/Hide
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| Molecular Type |
Small molecule
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| Disease | Hepatocellular carcinoma [ICD-11: 2C12] | Investigative | [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 |
C22H28N8OS
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| PubChem CID | ||||
| Canonical SMILES |
CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)N3CCN(CC3)C)NC4=NNC(=C4)C
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| InChI |
1S/C22H28N8OS/c1-4-21(31)23-16-5-7-17(8-6-16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,31)(H2,24,25,26,27,28)
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| InChIKey |
LCQYMDMUCJFFKN-UHFFFAOYSA-N
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| 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 | ||||||
| Vincristine | Catharanthus roseus | 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 | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Up-regulation | Cleavage | CASP3 | Molecule Info |
Pathway MAP
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| Up-regulation | Cleavage | CASP7 | Molecule Info |
Pathway MAP
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| Up-regulation | Cleavage | CASP9 | Molecule Info |
Pathway MAP
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| Down-regulation | Phosphorylation | ERK1 | Molecule Info |
Pathway MAP
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| Down-regulation | Phosphorylation | ERK2 | Molecule Info |
Pathway MAP
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| Up-regulation | Cleavage | PARP1 | Molecule Info |
Pathway MAP
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| Up-regulation | Phosphorylation | RAD53 | Molecule Info |
Pathway MAP
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| Biological
Regulation |
Induction | Cell cycle arrest in G2/M-phase | ||||
| In-vitro Model | KCL-22 | CVCL_2091 | Chronic myelogenous leukemia | Homo sapiens | ||
| K-562 | CVCL_0004 | Chronic myelogenous leukemia | Homo sapiens | |||
| Ku812 | CVCL_0379 | Chronic myelogenous leukemia | Homo sapiens | |||
| THP-1 | CVCL_0006 | Childhood acute monocytic leukemia | Homo sapiens | |||
| HL-60 | CVCL_0002 | Adult acute myeloid leukemia | Homo sapiens | |||
| U-937 | CVCL_0007 | Adult acute monocytic leukemia | Homo sapiens | |||
| KY821 | CVCL_1346 | Acute myelomonocytic leukemia | Homo sapiens | |||
| Experimental
Result(s) |
Vincristine potentiates the anti-proliferative effect of an aurora kinase inhibitor, VE-465, in myeloid leukemia cells. | |||||
| Target and Pathway | ||||
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| Target(s) | Apoptosis regulator Bcl-2 (BCL-2) | Molecule Info | [3] | |
| 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 | |||
