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Compound Detail

CHEMBL5420335

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O=C(O)CCC(=O)N1N=C(c2ccco2)CC1c1cc2ccccc2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5420335
Phase Preclinical
Structure Type MOL
InChI Key RXRJURPSBDDIHW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
3.37
ALogP
5
HBA
1
HBD
96.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N3O4
MW 363.37
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.94

Literature References

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

Data from ChEMBL 36 via Core Engine