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Compound Detail

CHEMBL205495

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Cc1ccc2c(c1C)CN(CCc1ccccc1)CC2c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL205495
Phase Preclinical
Structure Type MOL
InChI Key AQIANVVPEXKNAN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

341.5
MW (Da)
5.49
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N
MW 341.50
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.28

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