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Compound Detail

CHEMBL5429175

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CC(C)n1nc(-c2nc3cc(Cl)ccc3[nH]2)cc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5429175
Phase Preclinical
Structure Type MOL
InChI Key JGHKFMZFUBHRPA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.8
MW (Da)
5.33
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17ClN4
MW 336.83
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
37078976 10.1021/acs.jmedchem.3c00210 P2Y purinoceptor 6 2

Data from ChEMBL 36 via Core Engine