BAY1436032

Search structure


Synonyms:	Bay1436032
Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN

Structure


InChI Key	RNMAUIMMNAHKQR-QFBILLFUSA-N
Smile	C[C@H]1C[C@@H](n2c(Nc3ccc(OC(F)(F)F)cc3)nc3cc(CCC(=O)O)ccc32)CC(C)(C)C1
InChI	InChI=1S/C26H30F3N3O3/c1-16-12-19(15-25(2,3)14-16)32-22-10-4-17(5-11-23(33)34)13-21(22)31-24(32)30-18-6-8-20(9-7-18)35-26(27,28)29/h4,6-10,13,16,19H,5,11-12,14-15H2,1-3H3,(H,30,31)(H,33,34)/t16-,19+/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C26H30F3N3O3
Molecular Weight	489.54
AlogP	7.08
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	76.38
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	35.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	Isocitrate dehydrogenase [NADP] cytoplasmic inhibitor	PubMed PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	15-15	-	-	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Leukemia, Myeloid, Acute	1	D015470	ClinicalTrials
Neoplasms	1	D009369	ClinicalTrials

Cross References

Resources	Reference
ChEMBL	CHEMBL4206033
SureChEMBL	SCHEMBL17009632

CONTENTS