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Compound Detail

CHEMBL5420225

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OC(CNc1ccccc1)Cn1c2ccccc2c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5420225
Phase Preclinical
Structure Type MOL
InChI Key NORJWXUNKBLRFK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
4.27
ALogP
3
HBA
2
HBD
37.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N2O
MW 316.40
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.64

Activity Summary

IC50 2 meas. best 4.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.65 4.65 22600.0 1
Dynamin-1
CHEMBL4958
 IC50 4.21 4.21 61700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 22600.0 nM 4.65 Inhibition of clathrin-mediated endocytosis in serum-starved human U2OS cells as... 36577213
Dynamin-1 IC50 = 61700.0 nM 4.21 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
36577213 10.1016/j.ejmech.2022.115001 Unchecked 1

Data from ChEMBL 36 via Core Engine