Drug Details

General Information of the Drug (ID: DR2915)
Name
Abivertinib
Synonyms
Avitinib; 1557267-42-1; N-(3-((2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide; Avitinib free base; SCHEMBL15453394; KS-00000TON; EX-A783; MolPort-042-663-560; Avitinib(AC0010/AC0010MA); ZINC142081723; AKOS030632728; CS-W008904; N-(3-{2-[3-Fluoro-4-(4-methyl-piperazin-1-yl)-phenylamino]-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy}-phenyl)-acrylamide; DS-19269; AK543905; 2-Propenamide, N-[3-[[2-[[3-fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-
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Molecular Type
Small molecule
Disease Lung cancer [ICD-11: 2C25] Phase 1 [1]
Structure
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2D MOL

3D MOL

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Formula
C26H26FN7O2
PubChem CID
72734520
Canonical SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)F
InChI
1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)
InChIKey
UOFYSRZSLXWIQB-UHFFFAOYSA-N
CAS Number
CAS 1557267-42-1
TTD Drug ID
D0FV3K
DrugBank ID
DB15327
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Apigenin      Psilotum nudum     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
                    Molecule(s)
                    Regulation		 Down-regulation Phosphorylation GSK-3B  Molecule Info 
Pathway MAP
                    In-vitro Model U-2932 CVCL_1896 B-cell lymphoma Homo sapiens
OCI-Ly10 CVCL_8795 B-cell lymphoma Homo sapiens
                    Experimental
                    Result(s)		 Apigenin can synergize with Abivertinib in treating DLBCL visa synergistically inducing apoptosis and inhibiting the p-GS3K-beta and its downstream targets.
Target and Pathway
Target(s) Epidermal growth factor receptor (EGFR)  Molecule Info  [1]
KEGG Pathway MAPK signaling pathway Click to Show/Hide
2 ErbB signaling pathway
3 Ras signaling pathway
4 Rap1 signaling pathway
5 Calcium signaling pathway
6 Cytokine-cytokine receptor interaction
7 HIF-1 signaling pathway
8 FoxO signaling pathway
9 Endocytosis
10 PI3K-Akt signaling pathway
11 Dorso-ventral axis formation
12 Focal adhesion
13 Adherens junction
14 Gap junction
15 Regulation of actin cytoskeleton
16 GnRH signaling pathway
17 Estrogen signaling pathway
18 Oxytocin signaling pathway
19 Epithelial cell signaling in Helicobacter pylori infection
20 Hepatitis C
21 Pathways in cancer
22 Proteoglycans in cancer
23 MicroRNAs in cancer
24 Pancreatic cancer
25 Endometrial cancer
26 Glioma
27 Prostate cancer
28 Melanoma
29 Bladder cancer
30 Non-small cell lung cancer
31 Central carbon metabolism in cancer
32 Choline metabolism in cancer
NetPath Pathway IL4 Signaling Pathway Click to Show/Hide
2 EGFR1 Signaling Pathway
Panther Pathway Cadherin signaling pathway Click to Show/Hide
2 EGF receptor signaling pathway
Pathway Interaction Database LPA receptor mediated events Click to Show/Hide
2 Signaling events mediated by PTP1B
3 Arf6 signaling events
4 Signaling events mediated by TCPTP
5 Thromboxane A2 receptor signaling
6 SHP2 signaling
7 Regulation of Telomerase
8 EGF receptor (ErbB1) signaling pathway
9 EGFR-dependent Endothelin signaling events
10 Posttranslational regulation of adherens junction stability and dissassembly
11 Direct p53 effectors
12 ErbB1 downstream signaling
13 Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
14 E-cadherin signaling in keratinocytes
15 ErbB receptor signaling network
16 Internalization of ErbB1
17 Stabilization and expansion of the E-cadherin adherens junction
18 a6b1 and a6b4 Integrin signaling
19 Syndecan-3-mediated signaling events
Reactome Constitutive Signaling by Ligand-Responsive EGFR Cancer Variants Click to Show/Hide
2 SHC1 events in ERBB2 signaling
3 PLCG1 events in ERBB2 signaling
4 PIP3 activates AKT signaling
5 GRB2 events in EGFR signaling
6 GAB1 signalosome
7 SHC1 events in EGFR signaling
8 EGFR downregulation
9 GRB2 events in ERBB2 signaling
10 PI3K events in ERBB2 signaling
11 EGFR Transactivation by Gastrin
12 Constitutive Signaling by Aberrant PI3K in Cancer
13 Constitutive Signaling by EGFRvIII
14 RAF/MAP kinase cascade
WikiPathways ErbB Signaling Pathway Click to Show/Hide
2 Regulation of Actin Cytoskeleton
3 EGF/EGFR Signaling Pathway
4 MAPK Signaling Pathway
5 Focal Adhesion
6 Aryl Hydrocarbon Receptor Pathway
7 Extracellular vesicle-mediated signaling in recipient cells
8 TCA Cycle Nutrient Utilization and Invasiveness of Ovarian Cancer
9 Hair Follicle Development: Cytodifferentiation (Part 3 of 3)
10 Bladder Cancer
11 Hair Follicle Development: Induction (Part 1 of 3)
12 Signaling by ERBB4
13 Signaling by ERBB2
14 Gastrin-CREB signalling pathway via PKC and MAPK
15 PIP3 activates AKT signaling
16 Nanoparticle-mediated activation of receptor signaling
17 Aryl Hydrocarbon Receptor
18 Spinal Cord Injury
19 Integrated Pancreatic Cancer Pathway
20 Gastric cancer network 2
21 AGE/RAGE pathway
22 Signaling Pathways in Glioblastoma
23 Arylhydrocarbon receptor (AhR) signaling pathway
24 miR-targeted genes in muscle cell - TarBase
25 miR-targeted genes in lymphocytes - TarBase
26 miR-targeted genes in epithelium - TarBase
27 Integrated Breast Cancer Pathway
28 Signaling by EGFR
29 L1CAM interactions
References
Reference 1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
Reference 2 Apigenin and Abivertinib, a novel BTK inhibitor synergize to inhibit diffuse large B-cell lymphoma in vivo and vitro. J Cancer. 2020 Feb 3;11(8):2123-2132.
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