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Compound Detail

CHEMBL4753465

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CC(C)Oc1ccc(Oc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4753465
Phase Preclinical
Structure Type MOL
InChI Key NAOFAQKIAWFMDS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.9
MW (Da)
2.68
ALogP
8
HBA
1
HBD
95.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClN3O5
MW 431.88
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
33540044 10.1016/j.bmcl.2021.127833 P2X purinoceptor 3 1

Data from ChEMBL 36 via Core Engine