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Compound Detail

CHEMBL57924

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COc1c(I)cc(I)cc1C(=O)Nc1cc(C)c(C(C#N)c2ccc(Cl)cc2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL57924
Phase Preclinical
Structure Type MOL
InChI Key CPNSPZQMLFBXQY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

677.1
MW (Da)
7.43
ALogP
3
HBA
1
HBD
62.1
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H16Cl2I2N2O2
MW 677.11
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
9873460 10.1016/s0960-894x(98)00326-6 KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) 1

Data from ChEMBL 36 via Core Engine