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Compound Detail

CHEMBL199252

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C[N+]1(CCCC(C#N)(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL199252
Phase Preclinical
Structure Type MOL
InChI Key QZWVLZCHZTWITH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.0
MW (Da)
6.06
ALogP
2
HBA
1
HBD
44.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32ClN2O+
MW 460.04
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.17

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