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Compound Detail

CHEMBL76844

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CCCn1c(=O)c2nc(/C=C/c3ccc(Cl)cc3)[nH]c2n(CCC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL76844
Phase Preclinical
Structure Type MOL
InChI Key OYLUZVGMCUONPJ-JXMROGBWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.9
MW (Da)
3.53
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21ClN4O2
MW 372.86
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
1613758 10.1021/jm00090a027 Adenosine receptor A1 1
1613758 10.1021/jm00090a027 Adenosine A2 receptor 1

Data from ChEMBL 36 via Core Engine