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Compound Detail

CHEMBL56151

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Clc1ccc2/c(=N/C34CC5CC(CC(C5)C3)C4)ccn(Cc3ccccc3)c2c1

Basic Information

ChEMBL ID CHEMBL56151
Phase Preclinical
Structure Type MOL
InChI Key IVKAYXWXXKNJSM-ZZIIXHQDSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.0
MW (Da)
6.21
ALogP
2
HBA
0
HBD
17.3
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27ClN2
MW 402.97
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.71

Activity Summary

IC50 2 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.8 6.8 157.0 1
Potassium voltage-gated channel subfamily A member 3
CHEMBL4633
IC50 5.93 5.93 1170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7540207 10.1021/jm00011a007 Potassium voltage-gated channel subfamily A member 3 1
7540207 10.1021/jm00011a007 Unchecked 1

Data from ChEMBL 36 via Core Engine