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Compound Detail

CHEMBL4162758

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COc1cc(/C(C)=C/C(=O)c2ccc(Cl)cc2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4162758
Phase Preclinical
Structure Type MOL
InChI Key KXJSBHASERHFQW-PKNBQFBNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

302.8
MW (Da)
4.34
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.67
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 C17H15ClO3
MW 302.76
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.13

Literature References

PubMed DOI Target Context # Activities
30106292 10.1021/acs.jmedchem.8b00657 Stromal cell-derived factor 1 1
30106292 10.1021/acs.jmedchem.8b00657 No relevant target 1

Data from ChEMBL 36 via Core Engine