General Information of Drug (ID: DMD0Z2H)

Drug Name
ABS-201
Synonyms ABS-201; GTPL5308; ABS201; CHEMBL1170625; ABS 201
Indication
Disease Entry ICD 11 Status REF
Psychotic disorder 6A20-6A25 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C40H67N9O8
Canonical SMILES
CC(C)CC(C(=O)O)NC(=O)C(C(C)(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(C)CCCCCN
InChI
1S/C40H67N9O8/c1-24(2)22-30(38(56)57)47-36(54)32(40(4,5)6)48-34(52)29(23-26-15-17-27(50)18-16-26)46-35(53)31-14-11-21-49(31)37(55)28(13-10-20-44-39(42)43)45-33(51)25(3)12-8-7-9-19-41/h15-18,24-25,28-32,50H,7-14,19-23,41H2,1-6H3,(H,45,51)(H,46,53)(H,47,54)(H,48,52)(H,56,57)(H4,42,43,44)/t25-,28-,29-,30-,31-,32+/m0/s1
InChIKey
BLKOJISPADSFAG-JPDBKSEFSA-N
Cross-matching ID
PubChem CID
46866109
TTD ID
D03HMM

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5308).