Details of the Drug

General Information of Drug (ID: DMH0Q9V)

Drug Name

Lys[Z(NO2)]-Lys[Z(NO2)]

Synonyms

Lys[Z(NO2)]-Lys[Z(NO2)]; GTPL4499

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

618.6

Logarithm of the Partition Coefficient (xlogp)

1

Rotatable Bond Count (rotbonds)

17

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

11

Chemical Identifiers

Formula: C27H34N6O11
IUPAC Name: 2-[[2-azaniumyl-6-[(4-nitrophenoxy)carbonylamino]hexanoyl]amino]-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoate
Canonical SMILES: C1=CC(=CC=C1COC(=O)NCCCCC(C(=O)[O-])NC(=O)C(CCCCNC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])[NH3+])[N+](=O)[O-]
InChI: InChI=1S/C27H34N6O11/c28-22(5-1-3-16-30-27(38)44-21-13-11-20(12-14-21)33(41)42)24(34)31-23(25(35)36)6-2-4-15-29-26(37)43-17-18-7-9-19(10-8-18)32(39)40/h7-14,22-23H,1-6,15-17,28H2,(H,29,37)(H,30,38)(H,31,34)(H,35,36)
InChIKey: AJUWOKKXEQNXLT-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Solute carrier family 15 member 2 (SLC15A2)	TT27Q3A	S15A2_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction 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: 4499).
2	Defining minimal structural features in substrates of the H(+)/peptide cotransporter PEPT2 using novel amino acid and dipeptide derivatives. Mol Pharmacol. 2002 Jan;61(1):214-21.