Details of the Drug

General Information of Drug (ID: DML83XP)

Drug Name
L-Homoarginine
Synonyms
L-Homoarginine; homoarginine; 156-86-5; H-HoArg-OH; homo-l-arginine; L-N(sup 6)-Amidinolysine; n6-amidino-lysine; UNII-JF751CK38I; (S)-2-Amino-6-guanidinohexanoic acid; N6-amidino-L-Lysine; L-Lysine, N(sup 6)-(aminoiminomethyl)-; NSC 27429; LYSINE, N(sup 6)-AMIDINO-, L-; CHEMBL589752; JF751CK38I; N6-(Aminoiminomethyl)-L-lysine; CHEBI:27747; QUOGESRFPZDMMT-YFKPBYRVSA-N; AK-49431; L-Lysine, N6-(aminoiminomethyl)- (9CI); L-alpha-Amino-epsilon-guanidinohexanoic acid; Q-201303; h-Homoarginine; h-har-oh; L-N(6)-amidinolysine
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) 188.23
Logarithm of the Partition Coefficient (xlogp) -3.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C7H16N4O2
IUPAC Name
(2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid
Canonical SMILES
C(CCN=C(N)N)C[C@@H](C(=O)O)N
InChI
InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1
InChIKey
QUOGESRFPZDMMT-YFKPBYRVSA-N
Cross-matching ID
PubChem CID
9085
ChEBI ID
CHEMBL589752
CAS Number
156-86-5
UNII
JF751CK38I
DrugBank ID
DB03974
TTD ID
D0F8VS
VARIDT ID
DR00192

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nitric-oxide synthase endothelial (NOS3) TTCM4B3 NOS3_HUMAN Inhibitor [1]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Mitochondrial ornithine transporter 3 (SLC25A29) DT96BT4 MCATL_HUMAN Substrate [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Solute carrier organic anion transporter family member 4C1 (SLCO4C1) OTVILUUN SO4C1_HUMAN Regulation of Drug Effects [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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 endothelial (NOS3) DTT NOS3 3.68E-01 -0.11 -0.85
Mitochondrial ornithine transporter 3 (SLC25A29) DTP ORNT3 5.57E-02 -2.68E-01 -1.29E+00
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2 The human gene SLC25A29, of solute carrier family 25, encodes a mitochondrial transporter of basic amino acids. J Biol Chem. 2014 May 9;289(19):13374-84.
3 The renal transport protein OATP4C1 mediates uptake of the uremic toxin asymmetric dimethylarginine (ADMA) and efflux of cardioprotective L-homoarginine. PLoS One. 2019 Mar 13;14(3):e0213747. doi: 10.1371/journal.pone.0213747. eCollection 2019.