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Compound Detail

CHEMBL142576

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CCCn1c(=O)c2nc(C(C3CCCCC3)C3CCCCC3)[nH]c2n(CCC)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL142576
Phase Preclinical
Structure Type MOL
InChI Key BTAKKRMEEVEZAS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

414.6
MW (Da)
4.95
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H38N4O2
MW 414.59
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
1992150 10.1021/jm00105a072 Adenosine receptor A1 1
1992150 10.1021/jm00105a072 Adenosine A2 receptor 1

Data from ChEMBL 36 via Core Engine