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Compound Detail

CHEMBL321047

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CN1c2ccccc2C(=O)CC1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL321047
Phase Preclinical
Structure Type MOL
InChI Key XYIWVJOUTVYHGO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
3.45
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15NO
MW 237.30
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.12

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11212091 10.1016/s0960-894x(00)00652-1 Homo sapiens 1

Data from ChEMBL 36 via Core Engine