Details of the Drug

General Information of Drug (ID: DMVN93B)

Drug Name

D-leucyl-N-(3-chlorobenzyl)-L-prolinamide

Synonyms

D-Leucyl-N-(3-Chlorobenzyl)-L-Prolinamide; CHEMBL1229801; DB06911; N-(3-Chlorobenzyl)-1-[(2R)-2-amino-4-methylpentanoyl]-L-prolinamide; (2S)-1-[(2R)-2-amino-4-methylpentanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

351.9

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H26ClN3O2
IUPAC Name: (2S)-1-[(2R)-2-amino-4-methylpentanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
Canonical SMILES: CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCC2=CC(=CC=C2)Cl)N
InChI: InChI=1S/C18H26ClN3O2/c1-12(2)9-15(20)18(24)22-8-4-7-16(22)17(23)21-11-13-5-3-6-14(19)10-13/h3,5-6,10,12,15-16H,4,7-9,11,20H2,1-2H3,(H,21,23)/t15-,16+/m1/s1
InChIKey: FHVBVJXZKNCSLP-CVEARBPZSA-N

Cross-matching ID

PubChem CID: 25113127
DrugBank ID: DB06911
TTD ID: D0P1JQ

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.