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Compound Detail

CHEMBL340353

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CN1C(=O)[C@H](NC(=O)CCC2CCCCC2)N=C(c2ccccc2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL340353
Phase Preclinical
Structure Type MOL
InChI Key FLGHLGGIQDOQPD-XMMPIXPASA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
4.30
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.81
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 C25H29N3O2
MW 403.53
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.25

Activity Summary

IC50 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 8.0 8.0 10.0 1
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9397166 10.1021/jm970517u Unchecked 1
9397166 10.1021/jm970517u Voltage-gated inwardly rectifying potassium channel KCNH2 1
9397166 10.1021/jm970517u Gastrin/cholecystokinin type B receptor 1

Data from ChEMBL 36 via Core Engine