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Compound Detail

CHEMBL7582

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CC(C)(C)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL7582
Phase Preclinical
Structure Type MOL
InChI Key ZCXJGEJNWUVYCS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

341.8
MW (Da)
4.40
ALogP
6
HBA
1
HBD
68.2
PSA (Ų)
0.58
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 C17H16ClN5O
MW 341.80
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.99

Literature References

PubMed DOI Target Context # Activities
3361572 10.1021/jm00400a022 Adenosine receptor A1 1
3361572 10.1021/jm00400a022 Adenosine A2 receptor 1
3361572 10.1021/jm00400a022 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine