BREPOCITINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3X8387Q25N

Structure
InChI Key BUWBRTXGQRBBHG-MJBXVCDLSA-N
Smile Cn1cc(Nc2nccc(N3C[C@@H]4CC[C@H](C3)N4C(=O)[C@@H]3CC3(F)F)n2)cn1
InChI
InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21F2N7O
Molecular Weight 389.41
AlogP 1.79
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 79.18
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase JAK1 inhibitor PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Dermatitis, Atopic 2 D003876 ClinicalTrials
Crohn Disease 2 D003424 ClinicalTrials
Psoriasis 2 D011565 ClinicalTrials
Colitis, Ulcerative 2 D003093 ClinicalTrials
Arthritis, Psoriatic 2 D015535 ClinicalTrials
Alopecia Areata 2 D000506 ClinicalTrials
Hidradenitis Suppurativa 2 D017497 ClinicalTrials
Lupus Erythematosus, Systemic 2 D008180 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297477
DrugBank DB15003
FDA SRS 3X8387Q25N
Guide to Pharmacology 10459
PDB G4J
PubChem 118878093
SureChEMBL SCHEMBL17512502
ZINC ZINC000526061580
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