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Compound Detail

CHEMBL3577901

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COc1ccc(C(C)N(Cc2cccc(C(=O)O)c2)C(=O)c2cnc3ccccc3c2)cc1

Basic Information

ChEMBL ID CHEMBL3577901
Phase Preclinical
Structure Type MOL
InChI Key CISIDUHYOJBXAM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
5.35
ALogP
4
HBA
1
HBD
79.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24N2O4
MW 440.50
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.14

Activity Summary

IC50 1 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 8
CHEMBL1075319
IC50 5.21 5.21 6104.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25893043 10.1021/ml500479v Transient receptor potential cation channel subfamily M member 8 1

Data from ChEMBL 36 via Core Engine