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Compound Detail

CHEMBL3560464

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CCCCN1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1

Basic Information

ChEMBL ID CHEMBL3560464
Phase Preclinical
Structure Type MOL
InChI Key RXDVXZQQYKVBTQ-RMKNXTFCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

351.3
MW (Da)
3.41
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23BrN2O
MW 351.29
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 183
CHEMBL3259470
IC50 8.68 8.68 2.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine