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Compound Detail

CHEMBL1230192

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Basic Information

ChEMBL ID CHEMBL1230192
Phase Preclinical
Structure Type MOL
InChI Key HHDDCCUIIUWNGJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

104.1
MW (Da)
-1.37
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C3H4O4
MW 104.06
Aromatic Rings 0
Heavy Atoms 7
NP-Likeness 1.21

Activity Summary

EC50 1 meas. best 6.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Olfactory receptor 51E2
CHEMBL4523454
EC50 6.38 6.38 420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Olfactory receptor 51E2 EC50 = 420.0 nM 6.38 Agonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells... -

Data from ChEMBL 36 via Core Engine