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Compound Detail

CHEMBL1417328

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O=C1C2CC=CCC2C(=O)N1c1ccc(Cc2ccncc2)cc1

Basic Information

ChEMBL ID CHEMBL1417328
Phase Preclinical
Structure Type MOL
InChI Key RTFRSXJCYFWJTA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
3.13
ALogP
3
HBA
0
HBD
50.3
PSA (Ų)
0.65
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 C20H18N2O2
MW 318.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.58

Activity Summary

EC50 1 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
EC50 6.07 6.07 860.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine