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Compound Detail

CHEMBL1376266

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COc1ccc(-n2c(C)cc(C(=O)COC(=O)Cn3cnc4ccccc43)c2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1376266
Phase Preclinical
Structure Type MOL
InChI Key DMMIKXQNMAPFBA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
3.88
ALogP
7
HBA
0
HBD
75.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N3O4
MW 417.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.83

Activity Summary

IC50 1 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Galanin receptor type 3
CHEMBL2731
 IC50 6.12 6.12 762.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Galanin receptor type 3 IC50 = 762.09 nM 6.12 PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... -

Data from ChEMBL 36 via Core Engine