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Compound Detail

CHEMBL4577383

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COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccc(Cl)cc2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4577383
Phase Preclinical
Structure Type MOL
InChI Key VFKUGOQNVTUTIF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

468.3
MW (Da)
5.72
ALogP
5
HBA
1
HBD
65.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19Cl2N3O3
MW 468.34
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.76

Literature References

PubMed DOI Target Context # Activities
27515719 10.1016/j.bmc.2016.08.002 HeLa 1
27515719 10.1016/j.bmc.2016.08.002 MCF7 1
27515719 10.1016/j.bmc.2016.08.002 A549 1
27515719 10.1016/j.bmc.2016.08.002 HEK-293T 1
27515719 10.1016/j.bmc.2016.08.002 Dual specificity mitogen-activated protein kinase kinase 1 1

Data from ChEMBL 36 via Core Engine