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Compound Detail

CHEMBL456264

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COC(=O)[C@@H]1CCCN1c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL456264
Phase Preclinical
Structure Type MOL
InChI Key ATWJGPBKXBYQRH-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
1.38
ALogP
8
HBA
1
HBD
102.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N6O3
MW 358.40
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
19140664 10.1021/jm800908d Adenosine receptor A2a 1
19140664 10.1021/jm800908d Adenosine receptor A1 1
19140664 10.1021/jm800908d Unchecked 1

Data from ChEMBL 36 via Core Engine