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Compound Detail

CHEMBL178018

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O=C(O)COc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL178018
Phase Preclinical
Structure Type MOL
InChI Key SODPIMGUZLOIPE-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

186.6
MW (Da)
1.80
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H7ClO3
MW 186.59
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -1.06

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
6747995 10.1021/jm00374a006 ADMET 6
19817384 10.1021/jm900823s Unchecked 2
458816 10.1021/jm00192a002 Unchecked 1

Data from ChEMBL 36 via Core Engine