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Compound Detail

CHEMBL1300327

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COc1cccc2[nH]c3c(N4CCCC(C)C4)ncnc3c12

Basic Information

ChEMBL ID CHEMBL1300327
Phase Preclinical
Structure Type MOL
InChI Key AIJBVQPEQXKJFG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
3.36
ALogP
4
HBA
1
HBD
54.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N4O
MW 296.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.80

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Galanin receptor type 3
CHEMBL2731
IC50 6.4 6.4 399.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Galanin receptor type 3 IC50 = 399.9 nM 6.4 PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... -

Data from ChEMBL 36 via Core Engine