GSK2982772

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: T5W3M0VO9B

Structure
InChI Key LYPAFUINURXJSG-AWEZNQCLSA-N
Smile CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccccc21
InChI
InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H19N5O3
Molecular Weight 377.4
AlogP 1.55
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 100.21
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 25000 - - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RIPK family
- 0-16 - 1 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 2
13000 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 2 D011565 ClinicalTrials
Arthritis, Rheumatoid 2 D001172 ClinicalTrials
Colitis, Ulcerative 2 D003093 ClinicalTrials
Immune System Diseases 1 D007154 ClinicalTrials
Inflammatory Bowel Diseases 1 D015212 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4071864
FDA SRS T5W3M0VO9B
Guide to Pharmacology 9554
PDB 7MJ
SureChEMBL SCHEMBL15956219
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