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Compound Detail

CHEMBL68613

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Cc1cc2nc(-c3ccccn3)c(-c3ccccn3)nc2cc1C

Basic Information

ChEMBL ID CHEMBL68613
Phase Preclinical
Structure Type MOL
InChI Key NACXMBPTPBZQHY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
4.37
ALogP
4
HBA
0
HBD
51.6
PSA (Ų)
0.55
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 C20H16N4
MW 312.38
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
8667360 10.1021/jm950727b Platelet-derived growth factor receptor 1
- 10.6019/CHEMBL4296182 Escherichia coli 1
- 10.6019/CHEMBL4296182 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4296182 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4296182 Cryptococcus neoformans 1
- 10.6019/CHEMBL4296182 Staphylococcus aureus 1
- 10.6019/CHEMBL4296182 Acinetobacter baumannii 1
- 10.6019/CHEMBL4296182 Candida albicans 1

Data from ChEMBL 36 via Core Engine