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Compound Detail

CHEMBL381061

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CCOC(=O)N1Cc2c(ccc(C)c2C)C(c2ccccc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL381061
Phase Preclinical
Structure Type MOL
InChI Key PCFSYCHAIKWSDT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
4.41
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.82
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 C20H23NO2
MW 309.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
16458511 10.1016/j.bmcl.2006.01.056 Kinesin-like protein KIF11 1
16458511 10.1016/j.bmcl.2006.01.056 A2780 1

Data from ChEMBL 36 via Core Engine