GLPG-0187

Search structure


Synonyms:	GLPG0187
Status:	Phase 1
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	43A5P87Z4T

Structure


InChI Key	CXHCNOMGODVIKB-VWLOTQADSA-N
Smile	COc1ccc(S(=O)(=O)N[C@@H](CNc2nc(C)nc(N3CCC(c4ccc5c(n4)NCCC5)CC3)c2C)C(=O)O)cc1
InChI	InChI=1S/C29H37N7O5S/c1-18-26(31-17-25(29(37)38)35-42(39,40)23-9-7-22(41-3)8-10-23)32-19(2)33-28(18)36-15-12-20(13-16-36)24-11-6-21-5-4-14-30-27(21)34-24/h6-11,20,25,35H,4-5,12-17H2,1-3H3,(H,30,34)(H,37,38)(H,31,32,33)/t25-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C29H37N7O5S
Molecular Weight	595.73
AlogP	3.08
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	10.0
Polar Surface Area	158.67
Molecular species	ZWITTERION
Aromatic Rings	3.0
Heavy Atoms	42.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor	-	1.2-1.2	-	-	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Neoplasms	1	D009369	ClinicalTrials

Cross References

Resources	Reference
ChEMBL	CHEMBL3319236
DrugBank	DB12297
FDA SRS	43A5P87Z4T
PubChem	53340771
SureChEMBL	SCHEMBL2372722
ZINC	ZINC000113459996

CONTENTS