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Compound Detail

CHEMBL192156

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NC(=O)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL192156
Phase Preclinical
Structure Type MOL
InChI Key DPMHKWDGDZUJNW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.3
MW (Da)
4.89
ALogP
3
HBA
3
HBD
100.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14Cl2N4O2
MW 425.27
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
15771432 10.1021/jm0495935 Serine/threonine-protein kinase Chk2 1

Data from ChEMBL 36 via Core Engine