Chemical Component Summary

NameN-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide
Identifiers(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
FormulaC22 H26 N4 O2
Molecular Weight378.467
TypeNON-POLYMER
Isomeric SMILES[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCc3ccccc3)\N
InChIInChI=1S/C22H26N4O2/c23-21(24)18-11-8-17(9-12-18)15-25-22(28)19-7-4-14-26(19)20(27)13-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,19H,4,7,10,13-15H2,(H3,23,24)(H,25,28)/t19-/m0/s1
InChIKeyRNZKCCPFUWHBFY-IBGZPJMESA-N
CompositionPolymer Sequences: HCI-PRO-00S
BIRD classTHROMBIN INHIBITOR
Represented AsSINGLE MOLECULE
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count1
Bond Count56
Aromatic Bond Count12

Drug Info: DrugBank

DrugBank IDDB06942 
NameN-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide
Groups experimental
DescriptionN-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-l-prolinamide is a solid. This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids. This medication targets the protein prothrombin.
SynonymsN-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide

Drug Targets

NameTarget SequencePharmacological ActionActions
ProthrombinMAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEE...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 25113615
ChEMBL CHEMBL1198147