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Compound Detail

CHEMBL160610

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NC1c2ccccc2Cc2ccccc21

Basic Information

ChEMBL ID CHEMBL160610
Phase Preclinical
Structure Type MOL
InChI Key BYDPSHUZBXOTOM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

195.3
MW (Da)
2.64
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N
MW 195.26
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness 0.18

Activity Summary

Ki 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2A
CHEMBL224
Ki 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11266163 10.1016/s0960-894x(01)00023-3 5-hydroxytryptamine receptor 2A 1

Data from ChEMBL 36 via Core Engine