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Compound Detail

CHEMBL330397

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COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330397
Phase Preclinical
Structure Type MOL
InChI Key WPOAGRRIROBDFF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.1
MW (Da)
3.96
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11Cl2NO3
MW 312.15
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
21534605 10.1021/jm200364n Onchocerca ochengi 2
9685233 10.1021/jm9803572 KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) 1

Data from ChEMBL 36 via Core Engine