Details of the Drug

General Information of Drug (ID: DMO9UMK)

Drug Name
CVS-1578
Synonyms 174960-52-2; 186318-81-0; CV-1778; CVS-1778; CVS-1832; CVS-1897; CVS-2097
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 466.6
Logarithm of the Partition Coefficient (xlogp) -0.2
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C20H30N6O5S
IUPAC Name
2-[(3S)-3-(benzylsulfonylamino)-2-oxopiperidin-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]acetamide
Canonical SMILES
C1C[C@@H](C(N(C1)C(=N)N)O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16-,19?/m0/s1
InChIKey
SPUAEQJRVQHWKF-NRAVZPKASA-N
Cross-matching ID
PubChem CID
9869156
TTD ID
D0Y8QU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Coagulation factor IIa (F2) TT6L509 THRB_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design and construction of novel thrombin inhibitors featuring P3-P4 quaternary lactam dipeptide surrogates. Bioorg Med Chem Lett. 1998 Sep 22;8(18):2501-6.