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Compound Detail

CHEMBL1534919

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COc1ccc(OC)c(C2C3=C(O)CCCC3=NC(C)=C2C(=O)Nc2nc3ccccc3s2)c1

Basic Information

ChEMBL ID CHEMBL1534919
Phase Preclinical
Structure Type MOL
InChI Key GFQYCJDJPSVRDG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

475.6
MW (Da)
5.76
ALogP
7
HBA
2
HBD
93.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N3O4S
MW 475.57
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.34

Activity Summary

IC50 2 meas. best 5.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.01 5.01 9830.0 1
Melanocortin receptor 4
CHEMBL259
IC50 4.9 4.9 12579.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine