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Compound Detail

CHEMBL2057927

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CC12CC1Cc1c(C(=O)O)n[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2057927
Phase Preclinical
Structure Type MOL
InChI Key KRMMTEHKHATCLO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

178.2
MW (Da)
0.94
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10N2O2
MW 178.19
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.68

Literature References

PubMed DOI Target Context # Activities
22435740 10.1021/jm2010964 Hydroxycarboxylic acid receptor 2 1

Data from ChEMBL 36 via Core Engine