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Compound Detail

CHEMBL102278

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CC1(C)Oc2cc(C#N)ccc2[C@@H](N2CCCCC2=O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL102278
Phase Preclinical
Structure Type MOL
InChI Key LOHXKGIOVBYLBU-CVEARBPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
2.14
ALogP
4
HBA
1
HBD
73.6
PSA (Ų)
0.86
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 C17H20N2O3
MW 300.36
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.41

Literature References

PubMed DOI Target Context # Activities
2231602 10.1021/jm00173a019 Cavia porcellus 2

Data from ChEMBL 36 via Core Engine