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Compound Detail

CHEMBL113903

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Cc1cccc2nc3n(c12)C(=O)c1ccccc1-3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113903
Phase Preclinical
Structure Type MOL
InChI Key HYFACUNFKHMBOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
3.01
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10N2O
MW 234.26
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
7932571 10.1021/jm00046a028 CCRF-CEM 1
7932571 10.1021/jm00046a028 DNA topoisomerase 2-beta 1
7932571 10.1021/jm00046a028 Rattus norvegicus 1
7932571 10.1021/jm00046a028 ADMET 1

Data from ChEMBL 36 via Core Engine