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Compound Detail

CHEMBL4582404

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OCc1ccc2c(c1)OCCO2

Basic Information

ChEMBL ID CHEMBL4582404
Phase Preclinical
Structure Type MOL
InChI Key FFLHNBGNAWYMRH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

166.2
MW (Da)
0.95
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10O3
MW 166.18
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.03

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Unchecked 3
- 10.6019/CHEMBL4513160 Pseudomonas aeruginosa 2
26908025 10.1021/acs.jmedchem.5b01813 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A 1
- 10.6019/CHEMBL4513160 Acinetobacter baumannii 1

Data from ChEMBL 36 via Core Engine