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Compound Detail

CHEMBL6023465

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CC(C)Oc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6023465
Phase Preclinical
Structure Type MOL
InChI Key KPVJARDWSWGQCE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.3
MW (Da)
4.10
ALogP
6
HBA
0
HBD
87.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17NO6
MW 331.32
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.90

Activity Summary

Ki 1 meas. best 10.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2A
CHEMBL224
 Ki 10.8 10.8 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 2A Ki = 0.016 nM 10.8 Receptor Selection and Amplification (R-SAT) Assays: R-SAT's were generally perf... -

Data from ChEMBL 36 via Core Engine