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Compound Detail

CHEMBL4175760

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CCn1cc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)Nc2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4175760
Phase Preclinical
Structure Type MOL
InChI Key NIFZKGCNOAGRND-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.3
MW (Da)
4.71
ALogP
4
HBA
2
HBD
76.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16Cl2N4O2
MW 403.27
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.10

Activity Summary

EC50 1 meas. best 4.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 4.51 4.51 31149.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 31149.0 nM 4.51 Protection against cisplatin-induced cell death in neonatal mouse HEI-OC1 cells ... 30091915

Literature References

PubMed DOI Target Context # Activities
30091915 10.1021/acs.jmedchem.8b00669 Unchecked 1
30091915 10.1021/acs.jmedchem.8b00669 CDK2/Cyclin A2 1

Data from ChEMBL 36 via Core Engine