HISTIDINE

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Synonyms
Status
Molecule Category Free-form
UNII 4QD397987E
EPA CompTox DTXSID9023126

Structure

InChI Key HNDVDQJCIGZPNO-YFKPBYRVSA-N
Smiles N[C@@H](Cc1c[nH]cn1)C(=O)O
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H9N3O2
Molecular Weight 155.16
AlogP -0.64
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 92.0
Molecular species ZWITTERION
Aromatic Rings 1.0
Heavy Atoms 11.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC03 and SLC07 families of heteromeric amino acid transporters (HATs) SLC07 Cationic amino acid transporter/glycoprotein-associated family
- - - - 92-92
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 92-92

Cross References

Resources Reference
ChEBI 15971
ChEMBL CHEMBL17962
DrugBank DB00117
DrugCentral 1377
FDA SRS 4QD397987E
Human Metabolome Database HMDB0000177
Guide to Pharmacology 3310
KEGG C00135
PharmGKB PA449882
PubChem 6274
SureChEMBL SCHEMBL3259
ZINC ZINC000006661227
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