Details of the Drug

General Information of Drug (ID: DMIFCHL)

Drug Name
D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
Synonyms D-Leucyl-N-(4-Carbamimidoylbenzyl)-L-Prolinamide; CHEMBL1230016; DB06996; N-(4-Amidinobenzyl)-1-[(2R)-2-amino-4-methylpentanoyl]-L-prolinamide; 31U
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) 359.5
Logarithm of the Partition Coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H29N5O2
IUPAC Name
(2S)-1-[(2R)-2-amino-4-methylpentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
Canonical SMILES
CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCC2=CC=C(C=C2)C(=N)N)N
InChI
InChI=1S/C19H29N5O2/c1-12(2)10-15(20)19(26)24-9-3-4-16(24)18(25)23-11-13-5-7-14(8-6-13)17(21)22/h5-8,12,15-16H,3-4,9-11,20H2,1-2H3,(H3,21,22)(H,23,25)/t15-,16+/m1/s1
InChIKey
XFNMDMGNNKIXBT-CVEARBPZSA-N
Cross-matching ID
PubChem CID
25220914
CAS Number
1186647-77-7
DrugBank ID
DB06996
TTD ID
D05BMA

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 Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.