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Compound Detail

CHEMBL1585333

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Cc1ccc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)o1

Basic Information

ChEMBL ID CHEMBL1585333
Phase Preclinical
Structure Type MOL
InChI Key ZQASEDXTLUSBAI-AATRIKPKSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
1.74
ALogP
5
HBA
0
HBD
62.5
PSA (Ų)
0.81
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 C16H18N4O2
MW 298.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.56

Activity Summary

IC50 2 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1
CHEMBL2097170
IC50 5.33 5.325 4710.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine