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Compound Detail

CHEMBL5437881

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CC(C)(C)n1nc(-c2nc3cc(C#N)ccc3[nH]2)cc1-c1ccco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5437881
Phase Preclinical
Structure Type MOL
InChI Key YRKUZTYBQCFABC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
4.31
ALogP
5
HBA
1
HBD
83.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N5O
MW 331.38
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.69

Literature References

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

Data from ChEMBL 36 via Core Engine