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Compound Detail

CHEMBL271207

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O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL271207
Phase Preclinical
Structure Type MOL
InChI Key DCYGAPKNVCQNOE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
4.11
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16O2
MW 288.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
18232633 10.1021/jm070663s Intermediate conductance calcium-activated potassium channel protein 4 1
37918435 10.1021/acs.jmedchem.3c01467 Nuclear receptor subfamily 4immunitygroup A member 1 1
37918435 10.1021/acs.jmedchem.3c01467 Nuclear receptor subfamily 4 group A member 2 1
37918435 10.1021/acs.jmedchem.3c01467 Nuclear receptor subfamily 4 group A member 3 1

Data from ChEMBL 36 via Core Engine