Details of the Drug

General Information of Drug (ID: DMVUF71)

Drug Name

[14C]histidine

Synonyms

[14C]-histidine

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): 1

Molecular Weight (mw)

157.15

Logarithm of the Partition Coefficient (xlogp)

-3.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C6H9N3O2
IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)(214C)propanoic acid
Canonical SMILES: C1=C(NC=N1)C[14C@@H](C(=O)O)N
InChI: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1/i5+2
InChIKey: HNDVDQJCIGZPNO-YDUYVQCESA-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 3 (SLC15A3)	TTAYPWS	S15A3_HUMAN	Modulator	[2]
Solute carrier family 15 member 4 (SLC15A4)	TTG2XRE	S15A4_HUMAN	Modulator	[3]
Solute carrier family 38 member 5 (SLC38A5)	TTC8YPT	S38A5_HUMAN	Modulator	[4]

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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: 4623).
2	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. (Target id: 986).
3	Cloning and functional expression of a brain peptide/histidine transporter. J Biol Chem. 1997 Apr 11;272(15):10205-11.
4	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. (Target id: 1173).