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Compound Detail

CHEMBL330970

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O=C(CCC1CCCCC1)NC1N=C(c2ccccc2)c2ccccc2NC1=O

Basic Information

ChEMBL ID CHEMBL330970
Phase Preclinical
Structure Type MOL
InChI Key ABIZILFXGUEEKM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
4.28
ALogP
3
HBA
2
HBD
70.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3O2
MW 389.50
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.26

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1000.0 nM 6.0 Inhibition of Iks current in isolated guinea pig myocytes during a 1s voltage cl... 9397166

Literature References

PubMed DOI Target Context # Activities
9397166 10.1021/jm970517u Unchecked 1

Data from ChEMBL 36 via Core Engine