ABIVERTINIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: CER0OPG92L

Structure
InChI Key UOFYSRZSLXWIQB-UHFFFAOYSA-N
Smile C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)c1
InChI
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H26FN7O2
Molecular Weight 487.54
AlogP 4.51
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 98.41
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Epidermal growth factor receptor erbB1 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase LRRK family
- 177-410.3 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 0.17-279 - - 5.3-94
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- 0.0911 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- 0.0911 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- 0.399 - - 80
Enzyme Transferase
- - - - 7.29

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297865
DrugBank DB15327
FDA SRS CER0OPG92L
Guide to Pharmacology 10044
PubChem 72734520
SureChEMBL SCHEMBL15453394
ZINC ZINC000142081723
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