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Compound Detail

CHEMBL1317

DIDESMETHYLIMIPRAMINE
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NCCCN1c2ccccc2CCc2ccccc21

Basic Information

ChEMBL ID CHEMBL1317
Name DIDESMETHYLIMIPRAMINE
Phase Preclinical
Structure Type MOL
InChI Key XJWJQDZWUYUIEM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

252.4
MW (Da)
3.27
ALogP
2
HBA
1
HBD
29.3
PSA (Ų)
0.91
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 C17H20N2
MW 252.36
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.39

Activity Summary

Ki 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2A
CHEMBL224
Ki 6.4 6.4 397.0 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