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Compound Detail

CHEMBL160911

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O=C(c1cccc(Cl)c1)N1CCNCC1

Basic Information

ChEMBL ID CHEMBL160911
Phase Preclinical
Structure Type MOL
InChI Key FBTDRVSCKFZIQH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

224.7
MW (Da)
1.39
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13ClN2O
MW 224.69
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.72

Activity Summary

Ki 2 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 4.77 4.77 17100.0 1
Serotonin 2 (5-HT2) receptor
CHEMBL2093870
Ki 4.25 4.25 55600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
3701781 10.1021/jm00155a008 Unchecked 1
3701781 10.1021/jm00155a008 Serotonin 2 (5-HT2) receptor 1

Data from ChEMBL 36 via Core Engine