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Compound Detail

CHEMBL139266

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O=CNN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL139266
Phase Preclinical
Structure Type MOL
InChI Key WFSBQRYDVUZTAO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

437.2
MW (Da)
4.52
ALogP
3
HBA
3
HBD
98.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H10Cl2N4O3
MW 437.24
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.12

Literature References

PubMed DOI Target Context # Activities
8893841 10.1021/jm9603779 Protein kinase C alpha type 1
8893841 10.1021/jm9603779 Unchecked 1
8893841 10.1021/jm9603779 B16 1
8893841 10.1021/jm9603779 P388 1
8893841 10.1021/jm9603779 DNA topoisomerase 1 1
8893841 10.1021/jm9603779 DNA topoisomerase 2-beta 1
8893841 10.1021/jm9603779 Bacillus cereus 1

Data from ChEMBL 36 via Core Engine