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Compound Detail

CHEMBL6207

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c1ccc2c(c1)c1cc[n+]2Cc2ccc3c(c2)Cc2cc(ccc2-3)C[n+]2ccc(c3ccccc32)NCCCCCCCCCCN1

Basic Information

ChEMBL ID CHEMBL6207
Phase Preclinical
Structure Type MOL
InChI Key XTPOJZQDRYWGAK-QEXFJYHKSA-P
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

618.9
MW (Da)
9.19
ALogP
2
HBA
2
HBD
31.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H46N4+2
MW 618.87
Aromatic Rings 6
Heavy Atoms 47
NP-Likeness 0.25

Activity Summary

IC50 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel protein 2
CHEMBL2547
IC50 7.05 7.05 90.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00568-9 Small conductance calcium-activated potassium channel protein 2 1
- 10.1016/S0960-894X(96)00568-9 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine