Details of the Drug

General Information of Drug (ID: DMJ5BDQ)

Drug Name
[3H]histidine
Synonyms [3H]-histidine
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 155.15
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)propanoic acid
Canonical SMILES
C1=C(NC=N1)C[C@@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
InChIKey
HNDVDQJCIGZPNO-YFKPBYRVSA-N
Cross-matching ID
PubChem CID
6274
ChEBI ID
CHEBI:15971
CAS Number
71-00-1
DrugBank ID
DB00117
TTD ID
D07UTZ
VARIDT ID
DR01135

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 [1]
Solute carrier family 15 member 4 (SLC15A4) TTG2XRE S15A4_HUMAN Modulator [2]
Solute carrier family 38 member 5 (SLC38A5) TTC8YPT S38A5_HUMAN Modulator [3]
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. (Target id: 986).
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: 987).
3 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).