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Compound Detail

CHEMBL5910884

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COc1cc(CC[C@@H](C)N2Cc3ccc(F)cc3C2)ccc1O

Basic Information

ChEMBL ID CHEMBL5910884
Phase Preclinical
Structure Type MOL
InChI Key IKOFTAHOICQOFR-CYBMUJFWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.88
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22FNO2
MW 315.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.47

Activity Summary

IC50 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
IC50 5.62 5.62 2400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine