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]
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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: CHEBI:27747
CAS Number: 156-86-5
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]

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Drug Transporter (DTP)

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

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.