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Compound Detail

CHEMBL5396901

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O=C(O)CCC(=O)N1N=C(c2ccco2)CC1c1nc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5396901
Phase Preclinical
Structure Type MOL
InChI Key VPZPMZKSIGVKJU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
2.70
ALogP
5
HBA
2
HBD
111.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O4
MW 352.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.44

Literature References

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

Data from ChEMBL 36 via Core Engine