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Compound Detail

CHEMBL319962

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COc1cc(OC)c(O)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL319962
Phase Preclinical
Structure Type MOL
InChI Key MLWQSGQEOKVYHW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.2
MW (Da)
3.97
ALogP
4
HBA
2
HBD
67.8
PSA (Ų)
0.88
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 C15H13Cl2NO4
MW 342.18
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
9685233 10.1021/jm9803572 KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) 1

Data from ChEMBL 36 via Core Engine