Details of the Drug

General Information of Drug (ID: DMVWOE7)

Drug Name
TP-101
Synonyms TP-101; Tyropeptin A-4; CHEMBL361383; L-Valinamide, N-(cyclohexylacetyl)-L-tyrosyl-N-(1-formyl-2-(4-hydroxyphenyl)ethyl)-
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C31H41N3O6
Canonical SMILES
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C=O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CC3CCCCC3
InChI
InChI=1S/C31H41N3O6/c1-20(2)29(31(40)32-24(19-35)16-22-8-12-25(36)13-9-22)34-30(39)27(17-23-10-14-26(37)15-11-23)33-28(38)18-21-6-4-3-5-7-21/h8-15,19-21,24,27,29,36-37H,3-7,16-18H2,1-2H3,(H,32,40)(H,33,38)(H,34,39)/t24?,27-,29-/m0/s1
InChIKey
PBHZSZHBJWAKIL-TXJYOHDVSA-N
Cross-matching ID
PubChem CID
44390959
ChEBI ID
CHEMBL361383
CAS Number
688737-89-5
TTD ID
D06QOM
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

References

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