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Compound Detail

CHEMBL102475

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C[C@H]1[C@H](n2ccccc2=O)c2cc(C#N)ccc2OC1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL102475
Phase Preclinical
Structure Type MOL
InChI Key NRMDRZLPSOTQCU-SJCJKPOMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
3.12
ALogP
4
HBA
0
HBD
55.0
PSA (Ų)
0.81
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 C18H18N2O2
MW 294.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.07

Literature References

PubMed DOI Target Context # Activities
1920358 10.1021/jm00114a017 Sus scrofa 1
1920358 10.1021/jm00114a017 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine