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Compound Detail

CHEMBL72183

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O=C(Nc1ccccc1)Nc1nc(-c2ccncc2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL72183
Phase Preclinical
Structure Type MOL
InChI Key WRULZCYYNAUCJE-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
4.34
ALogP
4
HBA
2
HBD
79.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N5O
MW 341.37
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.60

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
10841801 10.1021/jm000002u Adenosine receptor A3 1
10841801 10.1021/jm000002u Adenosine receptor A1 1
10841801 10.1021/jm000002u Adenosine receptor A2a 1

Data from ChEMBL 36 via Core Engine