Details of the Drug

General Information of Drug (ID: DM5QKX9)

Drug Name
CPZEN-45
Synonyms CPZEN-48; CPZEN-51; Caprazamycin analogs (tuberculosis), Microbial Chemistry Research Foundation/Lilly TB Drug Discovery Initiative
Indication
Disease Entry ICD 11 Status REF
Mycobacterium infection 1B10-1B21 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C32H44N6O11
Canonical SMILES
CCCCC1=CC=C(C=C1)NC(=O)C2=CCN(C(C(=O)N2C)C(C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)OC5C(C(C(O5)CN)O)O)C
InChI
InChI=1S/C32H44N6O11/c1-4-5-6-16-7-9-17(10-8-16)34-28(44)18-11-13-36(2)21(29(45)37(18)3)26(49-31-25(43)22(40)19(15-33)47-31)27-23(41)24(42)30(48-27)38-14-12-20(39)35-32(38)46/h7-12,14,19,21-27,30-31,40-43H,4-6,13,15,33H2,1-3H3,(H,34,44)(H,35,39,46)/t19-,21+,22-,23+,24-,25-,26+,27+,30-,31+/m1/s1
InChIKey
RQVDLVWYEOCAJE-KDHSHZOVSA-N
Cross-matching ID
PubChem CID
67419859
UNII
LLP2Z9Z2EK
DrugBank ID
DB18077
TTD ID
D0W4JY

References

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