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Compound Detail

CHEMBL278081

HISTIDINOL
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N[C@H](CO)Cc1c[nH]cn1

Basic Information

ChEMBL ID CHEMBL278081
Name HISTIDINOL
Phase Preclinical
Structure Type MOL
InChI Key ZQISRDCJNBUVMM-YFKPBYRVSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

141.2
MW (Da)
-0.73
ALogP
3
HBA
3
HBD
74.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H11N3O
MW 141.17
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness 0.60

Activity Summary

EC50 1 meas. best 10.46
Ki 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Olfactory receptor 51E2
CHEMBL4523454
EC50 10.46 10.46 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Olfactory receptor 51E2 EC50 = 0.035 nM 10.46 Agonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells... -

Literature References

PubMed DOI Target Context # Activities
10197963 10.1021/jm980408v Histamine H3 receptor 1
17481905 10.1016/j.bmc.2007.04.027 Histidinol dehydrogenase 1

Data from ChEMBL 36 via Core Engine