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Compound Detail

CHEMBL199065

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N#CC(CCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL199065
Phase Preclinical
Structure Type MOL
InChI Key QYEKUEKGGGUKAY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

482.7
MW (Da)
7.87
ALogP
2
HBA
0
HBD
27.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H34N2
MW 482.67
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
16190772 10.1021/jm050418d G-protein coupled receptor homolog US28 2

Data from ChEMBL 36 via Core Engine