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Compound Detail

CHEMBL114002

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O=C1c2ccccc2-c2nc3ccncc3n21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL114002
Phase Preclinical
Structure Type MOL
InChI Key HJKJCXCLGQRUCC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

221.2
MW (Da)
2.10
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.46
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 C13H7N3O
MW 221.22
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.85

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