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Compound Detail

CHEMBL5780952

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CC(C)Oc1ccc(CC(=O)N(Cc2ccc(F)cc2F)C2CCN(C)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5780952
Phase Preclinical
Structure Type MOL
InChI Key OUPXACJGGGNLPH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
4.42
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30F2N2O2
MW 416.51
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.73

Activity Summary

Ki 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2A
CHEMBL224
 Ki 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 2A Ki = 5.01 nM 8.3 Receptor Selection and Amplification (R-SAT) Assays: R-SAT's were generally perf... -

Data from ChEMBL 36 via Core Engine