ABIVERTINIB MALEATE

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Synonyms
Status
Molecule Category Mixture
UNII Y50131AMFJ

Structure

InChI Key QITOONQVTOGMOJ-IUJXYRIYSA-N
Smiles C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)c1.O.O.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C26H26FN7O2.C4H4O4.2H2O/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;5-3(6)1-2-4(7)8;;/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32);1-2H,(H,5,6)(H,7,8);2*1H2/b;2-1-;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H34FN7O8
Molecular Weight 639.64
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

Mechanism of Action Action Reference
Epidermal growth factor receptor erbB1 inhibitor INHIBITOR Other Other PubMed Other ClinicalTrials PubMed PubMed
Epidermal growth factor receptor erbB1 inhibitor INHIBITOR PubMed Other PubMed Other ClinicalTrials Other PubMed
Tyrosine-protein kinase BTK inhibitor INHIBITOR ClinicalTrials PubMed PubMed PubMed Other Other Other

Target Conservation

Protein: Epidermal growth factor receptor erbB1
Description: Epidermal growth factor receptor
Organism : Homo sapiens
P00533 ENSG00000146648
Protein: Tyrosine-protein kinase BTK
Description: Tyrosine-protein kinase BTK
Organism : Homo sapiens
Q06187 ENSG00000010671

Cross References

Resources Reference
CAS NUMBER 1822357-78-7
ChEMBL CHEMBL4297866
FDA SRS Y50131AMFJ
PubChem 137321960
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