MOBOCERTINIB

Search structure


Synonyms:	AP-32788 AP32788 TAK-788
Status:	Approved (2021)
Entry Type:	Small molecule
Molecule Category:	UNKNOWN

Structure


InChI Key	AZSRSNUQCUDCGG-UHFFFAOYSA-N
Smile	C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
InChI	InChI=1S/C32H39N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C32H39N7O4
Molecular Weight	585.71
AlogP	5.08
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	12.0
Polar Surface Area	113.85
Molecular species	BASE
Aromatic Rings	4.0
Heavy Atoms	43.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	Epidermal growth factor receptor erbB1 inhibitor	FDA

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family	-	0.01-364	-	-	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Carcinoma, Non-Small-Cell Lung	3	D002289	ClinicalTrials
Liver Diseases	1	D008107	ClinicalTrials
Kidney Diseases	1	D007674	ClinicalTrials

Cross References

Resources	Reference
ChEMBL	CHEMBL4650319

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