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Compound Detail

CHEMBL1917652

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CCCCNc1ccc(C(=O)OCC[N+](C)(C)CCCNCCCN)cc1

Basic Information

ChEMBL ID CHEMBL1917652
Phase Preclinical
Structure Type MOL
InChI Key OTTSSUDDBLCSJS-UHFFFAOYSA-O
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.6
MW (Da)
2.46
ALogP
5
HBA
3
HBD
76.4
PSA (Ų)
0.25
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H39N4O2+
MW 379.57
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.24

Activity Summary

Kd 2 meas. best 10.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclic nucleotide-gated channel alpha-1
CHEMBL4907
Kd 10.52 9.34 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16134947 10.1021/jm0502485 Cyclic nucleotide-gated channel alpha-1 2
21944857 10.1016/j.bmcl.2011.08.092 Unchecked 1

Data from ChEMBL 36 via Core Engine