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Compound Detail

CHEMBL105038

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CC1(C)Oc2ccc(C#N)cc2[C@@H](On2ccccc2=O)[C@]1(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL105038
Phase Preclinical
Structure Type MOL
InChI Key PMJNYIBFTBBGIL-AEFFLSMTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
1.81
ALogP
6
HBA
1
HBD
84.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O4
MW 326.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.05

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