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Compound Detail

CHEMBL4165150

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Cn1cc(NC(=O)c2c(Cl)cccc2Cl)c(C(=O)NC2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)n1

Basic Information

ChEMBL ID CHEMBL4165150
Phase Preclinical
Structure Type MOL
InChI Key WWSSAJMOUMFEBT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

569.3
MW (Da)
5.32
ALogP
5
HBA
2
HBD
96.3
PSA (Ų)
0.44
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 C24H21Cl4N5O3
MW 569.28
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.60

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