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Compound Detail

CHEMBL5765085

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COc1cccc(OCCNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5765085
Phase Preclinical
Structure Type MOL
InChI Key CPHQONPXXQJSEU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.9
MW (Da)
3.50
ALogP
5
HBA
1
HBD
63.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24ClF2N3O3
MW 439.89
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.53

Activity Summary

Ki 1 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL214
 Ki 9.3 9.3 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 1A Ki = 0.5 nM 9.3 Receptor Binding Assay: 5-HT1A: Radioligand binding was performed using membrane... -

Data from ChEMBL 36 via Core Engine