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Compound Detail

CHEMBL371203

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CCCN1CC=C(c2c(C)[nH]c3ccc(Cl)cc23)CC1

Basic Information

ChEMBL ID CHEMBL371203
Phase Preclinical
Structure Type MOL
InChI Key HHRWYAZBQFJQJN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

288.8
MW (Da)
4.63
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21ClN2
MW 288.82
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.06

Activity Summary

IC50 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
IC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16055331 10.1016/j.bmcl.2005.06.067 5-hydroxytryptamine receptor 6 2
16055331 10.1016/j.bmcl.2005.06.067 ADMET 1

Data from ChEMBL 36 via Core Engine