Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: BZ76J3N815

Structure

InChI Key MYTIJGWONQOOLC-HNNXBMFYSA-N
Smile C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1cc(NC(=N)N2CCOCC2)on1
InChI
InChI=1S/C22H23FN4O2/c1-15(17-7-8-18(19(23)13-17)16-5-3-2-4-6-16)20-14-21(29-26-20)25-22(24)27-9-11-28-12-10-27/h2-8,13-15H,9-12H2,1H3,(H2,24,25)/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23FN4O2
Molecular Weight 394.45
AlogP 4.31
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 74.38
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Indications

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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2107772
DrugBank DB12571
FDA SRS BZ76J3N815
Guide to Pharmacology 9364
PubChem 9800765
SureChEMBL SCHEMBL4179253