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Compound Detail

CHEMBL1608043

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Cc1cc2nn(-c3cccc4ccccc34)nc2cc1N

Basic Information

ChEMBL ID CHEMBL1608043
Phase Preclinical
Structure Type MOL
InChI Key OYIAMBODMBMDGO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
3.46
ALogP
4
HBA
1
HBD
56.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N4
MW 274.33
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -1.12

Activity Summary

IC50 2 meas. best 5.08

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 5.08 4.705 8230.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine