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Compound Detail

CHEMBL5401203

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O=C(O)c1ccccc1CCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5401203
Phase Preclinical
Structure Type MOL
InChI Key IOHPVZBSOKLVMN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

226.3
MW (Da)
3.17
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H14O2
MW 226.28
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.12

Literature References

PubMed DOI Target Context # Activities
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