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Compound Detail

CHEMBL4165253

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COC(=O)c1cc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cccc2nc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4165253
Phase Preclinical
Structure Type MOL
InChI Key IYMQMZNJVLKORJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.9
MW (Da)
4.83
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23ClN2O3
MW 398.89
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
29649742 10.1016/j.ejmech.2018.03.023 P2X purinoceptor 7 4

Data from ChEMBL 36 via Core Engine