Details of the Drug

General Information of Drug (ID: DM9XRS3)

Drug Name
Carotegrast
Synonyms Integrin antagonists (inflammation); Integrin antagonists (inflammation), Ajinomoto
Indication
Disease Entry ICD 11 Status REF
Inflammation 1A00-CA43.1 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C27H24Cl2N4O5
Canonical SMILES
CN1C2=C(C=C(C=C2)N(C)C)C(=O)N(C1=O)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C27H24Cl2N4O5/c1-31(2)17-11-12-22-18(14-17)25(35)33(27(38)32(22)3)16-9-7-15(8-10-16)13-21(26(36)37)30-24(34)23-19(28)5-4-6-20(23)29/h4-12,14,21H,13H2,1-3H3,(H,30,34)(H,36,37)/t21-/m0/s1
InChIKey
YQKBOUPIOWUMTE-NRFANRHFSA-N
Cross-matching ID
PubChem CID
10120218
ChEBI ID
CHEMBL4592659
CAS Number
401904-75-4
TTD ID
D0A0JM

References

1 The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.