Details of the Drug

General Information of Drug (ID: DM4X0WY)

Drug Name
N-Omega-Propyl-L-Arginine
Synonyms
N-OMEGA-PROPYL-L-ARGININE; 137361-05-8; omega-propyl-l-arginine; CHEMBL107528; (S)-2-Amino-5-(3-propylguanidino)pentanoic acid; Nomega-Propyl-L-arginine hydrochloride; (2S)-2-amino-5-[(N'-propylcarbamimidoyl)amino]pentanoic acid; Nomega-Propyl-L-arginine; hDDAH inhibitor, 2b; Tocris-1200; NCGC00025034-01; Nomegapropyl-L-arginine; N- -Propyl-L-Arginine; 3AR; 2-amino-5-[(N'-propylcarbamimidoyl)amino]pentanoic acid; AC1L9KK0; N.omega.-propyl-L-Arginine; GTPL6525; SCHEMBL1004634; CTK8E7922; DTXSID30332245; MolPort-006-395-775
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): 1 Molecular Weight (mw) 216.28
Logarithm of the Partition Coefficient (xlogp) -3.3
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C9H20N4O2
IUPAC Name
(2S)-2-amino-5-[(N'-propylcarbamimidoyl)amino]pentanoic acid
Canonical SMILES
CCCN=C(N)NCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1
InChIKey
AOMXURITGZJPKB-ZETCQYMHSA-N
Cross-matching ID
PubChem CID
447180
ChEBI ID
CHEMBL107528
CAS Number
137361-05-8
DrugBank ID
DB02644
TTD ID
D0O2KO
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nitric-oxide synthase brain (NOS1) TTZUFI5 NOS1_HUMAN Inhibitor [2]
Nitric-oxide synthase inducible (NOS2) TTF10I9 NOS2_HUMAN Inhibitor [2]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Nitric-oxide synthase inducible (NOS2) DTT NOS2 4.24E-02 -0.27 -0.88
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6525).
2 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.