LINERIXIBAT

Search structure


Synonyms:	Gsk-2330672 Gsk2330672 GSK2330672 Linerixibat
Status:	Phase 3
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	386012Z45S

Structure


InChI Key	CZGVOBIGEBDYTP-VSGBNLITSA-N
Smile	CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(=O)O)CC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1
InChI	InChI=1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29-30H,4-6,12,14-15,17-18H2,1-3H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C28H38N2O7S
Molecular Weight	546.69
AlogP	3.91
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	13.0
Polar Surface Area	142.03
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	38.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	Ileal bile acid transporter inhibitor	PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC10 family of sodium-bile acid co-transporters	-	2	-	-	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Cholestasis	3	D002779	ClinicalTrials
Pruritus	3	D011537	ClinicalTrials
Diabetes Mellitus, Type 2	2	D003924	ClinicalTrials
Cholestasis, Intrahepatic	2	D002780	ClinicalTrials

Cross References

Resources	Reference
ChEMBL	CHEMBL2387408
DrugBank	DB11729
FDA SRS	386012Z45S
PubChem	53492727
SureChEMBL	SCHEMBL2586025
ZINC	ZINC000096270862

CONTENTS