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Compound Detail

CHEMBL3673250

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O=C1c2cccc3[nH]cc(c23)CCN1CC12CCN(CC1)CC2

Basic Information

ChEMBL ID CHEMBL3673250
Phase Preclinical
Structure Type MOL
InChI Key FKHIPVXDHNZSRM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
2.65
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N3O
MW 309.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.14

Activity Summary

Ki 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 3A
CHEMBL1899
Ki 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine