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Compound Detail

CHEMBL5866451

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CC(C)COc1ccc(COC(=O)N(Cc2ccc(F)cc2)[C@@H]2CCNC[C@@H]2F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5866451
Phase Preclinical
Structure Type MOL
InChI Key CVXGZCFGUCZPDD-XZOQPEGZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
4.70
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30F2N2O3
MW 432.51
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.84

Activity Summary

Ki 1 meas. best 9.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2A
CHEMBL224
 Ki 9.6 9.6 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 2A Ki = 0.251 nM 9.6 Receptor Selection and Amplification (R-SAT) Assays: R-SAT's were generally perf... -

Data from ChEMBL 36 via Core Engine