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Compound Detail

CHEMBL1981589

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COc1ccc(-c2coc3c(C(=O)NCc4ccc(OC)c(OC)c4)cccc23)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1981589
Phase Preclinical
Structure Type MOL
InChI Key RAWZOGBOBSTINK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
5.36
ALogP
5
HBA
1
HBD
69.9
PSA (Ų)
0.43
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 C26H25NO5
MW 431.49
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.53

Activity Summary

IC50 1 meas. best 6.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Galanin receptor type 3
CHEMBL2731
 IC50 6.45 6.45 358.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Galanin receptor type 3 IC50 = 358.39 nM 6.45 PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... -

Data from ChEMBL 36 via Core Engine