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Compound Detail

CHEMBL5812415

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CCc1ccc(CN(C(=O)OCc2ccc(OC(C)C)cc2)C2CCN(C)CC2)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5812415
Phase Preclinical
Structure Type MOL
InChI Key ZKIYYCDCHZJIRM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
5.41
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H35FN2O3
MW 442.58
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.38

Activity Summary

Ki 1 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2A
CHEMBL224
 Ki 8.6 8.6 2.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 2A Ki = 2.51 nM 8.6 Receptor Selection and Amplification (R-SAT) Assays: R-SAT's were generally perf... -

Data from ChEMBL 36 via Core Engine