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Compound Detail

CHEMBL1386646

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CC1CC(=O)NN=C1c1ccc(N(C)C)c([N+](=O)[O-])c1

Basic Information

ChEMBL ID CHEMBL1386646
Phase Preclinical
Structure Type MOL
InChI Key FBZBPTAIJMWJJO-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
1.52
ALogP
5
HBA
1
HBD
87.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N4O3
MW 276.30
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.13

Activity Summary

EC50 1 meas. best 6.83
IC50 1 meas. best 5.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.83 6.83 149.0 1
Galanin receptor type 3
CHEMBL2731
IC50 5.76 5.76 1723.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine