GSK-3117391

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: CKA3P0O1VI

Structure
InChI Key AFDPFLDWOXXHQM-NRFANRHFSA-N
Smile O=C(CCc1ccc(CN[C@H](C(=O)OC2CCCC2)C2CCCCC2)cn1)NO
InChI
InChI=1S/C22H33N3O4/c26-20(25-28)13-12-18-11-10-16(14-23-18)15-24-21(17-6-2-1-3-7-17)22(27)29-19-8-4-5-9-19/h10-11,14,17,19,21,24,28H,1-9,12-13,15H2,(H,25,26)/t21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H33N3O4
Molecular Weight 403.52
AlogP 3.04
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 100.55
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Arthritis, Rheumatoid 2 D001172 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297494
DrugBank DB15440
FDA SRS CKA3P0O1VI
SureChEMBL SCHEMBL15144242
ZINC ZINC000198485396
CONTENTS