SOLCITINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3V7GQ1260K

Structure
InChI Key MPYACSQFXVMWNO-UHFFFAOYSA-N
Smile CC1(C)CN(C(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1
InChI
InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23N5O2
Molecular Weight 389.46
AlogP 3.23
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 79.6
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase JAK1 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- 6.6-9.8 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- 6.6-9.8 - - -
Enzyme Transferase
- - - - 12.04-19.83
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -0.23-2.87

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 2 D011565 ClinicalTrials
Lupus Erythematosus, Systemic 2 D008180 ClinicalTrials
Colitis, Ulcerative 1 D003093 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3301606
FDA SRS 3V7GQ1260K
Guide to Pharmacology 9697
SureChEMBL SCHEMBL2240393
ZINC ZINC000118401631
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