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Compound Detail

CHEMBL57526

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Cc1cc(N(C)C(=O)c2cc(I)cc(I)c2O)c(Cl)cc1C(C#N)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL57526
Phase Preclinical
Structure Type MOL
InChI Key LUYVDSSEWQYDIB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

677.1
MW (Da)
7.15
ALogP
3
HBA
1
HBD
64.3
PSA (Ų)
0.30
QED
2
Ro5 Violations
4
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 -1.16

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