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Compound Detail

CHEMBL98743

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COc1cc(OC)c(O)c(C(=O)Nc2cc(Cl)c(C(C#N)c3ccc(Cl)cc3)cc2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL98743
Phase Preclinical
Structure Type MOL
InChI Key MIVHVQRQCMQQLI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

471.3
MW (Da)
5.93
ALogP
5
HBA
2
HBD
91.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20Cl2N2O4
MW 471.34
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.00

Activity Summary

IC50 1 meas.

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