berotralstat (Orladeyo) Report issue

Small molecule Orphan Drug FDA Approved FDA Fast Track FDA
AACT

Back

Chemistry

Mol. Mass

562.57

ALogP

5.7

Rule of 5

No

Rule of 3

No
Details
  • SMILES: N#Cc1cccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)c1
  • InChIKey: UXNXMBYCBRBRFD-UHFFFAOYSA-N
    InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4594271   ChEMBL
berotralstat

CHEMBL4594272   ChEMBL
berotralstat hydrochloride

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue