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Compound Detail

CHEMBL3916784

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COc1ccc(CN(Cc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3916784
Phase Preclinical
Structure Type MOL
InChI Key XVRZXRNQAYUBII-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.5
MW (Da)
3.80
ALogP
6
HBA
1
HBD
102.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25NO7S
MW 471.53
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.93

Activity Summary

IC50 1 meas. best 5.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Taste receptor type 2 member 14
CHEMBL3309105
 IC50 5.83 5.83 1470.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Taste receptor type 2 member 14 IC50 = 1470.0 nM 5.83 Fluorescence Polarization Assays: In another embodiment, Fluorescence Polarizati... -

Data from ChEMBL 36 via Core Engine