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Compound Detail

CHEMBL114069

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O=C1c2ccccc2-c2nc3ccc(O)cc3n21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL114069
Phase Preclinical
Structure Type MOL
InChI Key KSSMLDDXENLQON-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

236.2
MW (Da)
2.41
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.51
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 C14H8N2O2
MW 236.23
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.23

Literature References

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

Data from ChEMBL 36 via Core Engine