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Compound Detail

CHEMBL87322

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CC1(C)Oc2ccc(C#N)cc2C(C)(C(=O)Nc2ccccc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL87322
Phase Preclinical
Structure Type MOL
InChI Key NTTHGLAMOIOUSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.19
ALogP
4
HBA
1
HBD
79.2
PSA (Ų)
0.86
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 C20H18N2O3
MW 334.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
1875351 10.1021/jm00112a037 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine