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Compound Detail

CHEMBL2312432

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CCCCCCCCCCCCCCNCc1cn(CCCN(C)C)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2312432
Phase Preclinical
Structure Type MOL
InChI Key FHXHUSJGTRNFBL-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.7
MW (Da)
7.38
ALogP
3
HBA
1
HBD
20.2
PSA (Ų)
0.24
QED
1
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H49N3
MW 427.72
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.85

Activity Summary

IC50 2 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.96 5.96 1100.0 1
Dynamin-2
CHEMBL5812
 IC50 5.17 5.17 6800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1100.0 nM 5.96 Inhibition of sheep dyn1 after 30 mins by malachite green GTPase assay in presen... 23167654
Dynamin-2 IC50 = 6800.0 nM 5.17 Inhibition of dyn2 in human U2OS cells assessed as clathrin-mediated endocytosis... 23167654

Literature References

PubMed DOI Target Context # Activities
23167654 10.1021/jm300844m Dynamin-2 1
23167654 10.1021/jm300844m Unchecked 1

Data from ChEMBL 36 via Core Engine