BMS-690514

Search structure


Synonyms:	Bms 6690514 Bms 690514 Bms-690514
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	VKU5X213Q7

Structure


InChI Key	CSGQVNMSRKWUSH-IAGOWNOFSA-N
Smile	COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1
InChI	InChI=1S/C19H24N6O2/c1-27-15-4-2-3-14(9-15)23-19-18-13(5-8-25(18)22-12-21-19)10-24-7-6-16(20)17(26)11-24/h2-5,8-9,12,16-17,26H,6-7,10-11,20H2,1H3,(H,21,22,23)/t16-,17-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H24N6O2
Molecular Weight	368.44
AlogP	1.38
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	100.94
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	27.0

Pharmacology

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

	Primary Target
epidermal growth factor receptor
erb-b2 receptor tyrosine kinase 2
kinase insert domain receptor

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family	-	-	0	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family	-	-	220	-	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Carcinoma, Non-Small-Cell Lung	2	D002289	ClinicalTrials
Breast Neoplasms	2	D001943	ClinicalTrials
Neoplasms	1	D009369	ClinicalTrials

Cross References

Resources	Reference
CAS NUMBER	859853-30-8
ChEMBL	CHEMBL3545396
DrugBank	DB11665
EPA CompTox	DTXSID3042689
FDA SRS	VKU5X213Q7
Guide to Pharmacology	7879
PubChem	11349170
SureChEMBL	SCHEMBL1219326
ZINC	ZINC000043152599

CONTENTS