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Compound Detail

CHEMBL1095748

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O=C(Nc1cccc(Cl)c1)Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1095748
Phase Preclinical
Structure Type MOL
InChI Key MZZFEGQYNUTPPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

468.9
MW (Da)
6.03
ALogP
5
HBA
2
HBD
84.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21ClN6O
MW 468.95
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
20408530 10.1021/jm901785w Adenosine receptor A3 1
20408530 10.1021/jm901785w Adenosine receptor A1 1
20408530 10.1021/jm901785w Adenosine receptor A2a 1

Data from ChEMBL 36 via Core Engine