Details of the Drug

General Information of Drug (ID: DM3PXHO)

Drug Name
Centanamycin
Synonyms CC-1065 analog; ML-970; AS-1-145; Antimalarials (oral), Spirogen
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C24H24ClN3O4
Canonical SMILES
COC1=C(C(=C2C(=C1)C=C(N2)C(=O)NC3=C(C4=CC=CC=C4C(=C3)N)CCCl)OC)OC
InChI
1S/C24H24ClN3O4/c1-30-20-11-13-10-19(27-21(13)23(32-3)22(20)31-2)24(29)28-18-12-17(26)15-7-5-4-6-14(15)16(18)8-9-25/h4-7,10-12,27H,8-9,26H2,1-3H3,(H,28,29)
InChIKey
MNFPZBOQEWMBOK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9825161
ChEBI ID
CHEBI:82669
CAS Number
413577-16-9
TTD ID
D0MP2S

References

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