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Compound Detail

CHEMBL4587670

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Nc1nc(-c2ccccc2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4587670
Phase Preclinical
Structure Type MOL
InChI Key AEEMTZOWFJHGNW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
2.88
ALogP
3
HBA
1
HBD
51.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11N3
MW 221.26
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
30390439 10.1016/j.ejmech.2018.10.026 Broad substrate specificity ATP-binding cassette transporter ABCG2 2
35933788 10.1016/j.ejmech.2022.114620 Adenosine receptor A2a 1

Data from ChEMBL 36 via Core Engine