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Compound Detail

CHEMBL5424836

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OC(CNCc1cccc(Cl)c1)Cn1c2ccccc2c2ccccc21

Basic Information

ChEMBL ID CHEMBL5424836
Phase Preclinical
Structure Type MOL
InChI Key RBGYMEZQFLKKGL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.9
MW (Da)
4.60
ALogP
3
HBA
2
HBD
37.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21ClN2O
MW 364.88
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.06

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dynamin-1
CHEMBL4958
IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dynamin-1 IC50 = 15000.0 nM 4.82 Inhibition of phosphotidylserine liposome-stimulated Dynamin 1 (unknown origin) ... 36577213

Literature References

PubMed DOI Target Context # Activities
36577213 10.1016/j.ejmech.2022.115001 Dynamin-1 1

Data from ChEMBL 36 via Core Engine