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Compound Detail

CHEMBL489524

CORYDINE
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COc1cc2c3c(c1O)-c1c(ccc(OC)c1OC)C[C@@H]3N(C)CC2

Basic Information

ChEMBL ID CHEMBL489524
Name CORYDINE
Phase Preclinical
Structure Type MOL
InChI Key IDQUPXZJURZAGF-ZDUSSCGKSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
3.17
ALogP
5
HBA
1
HBD
51.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H23NO4
MW 341.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.50

Activity Summary

IC50 2 meas. best 4.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 4.65 4.65 22300.0 1
Entamoeba histolytica
CHEMBL612853
IC50 4.04 4.04 90600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8254346 10.1021/np50099a005 Plasmodium falciparum 2
- 10.6019/CHEMBL4888484 Plasmodium falciparum 2
11141105 10.1021/np000144r Plasmodium falciparum 1
11141105 10.1021/np000144r Entamoeba histolytica 1
11141105 10.1021/np000144r KB 1
20097066 10.1016/j.bmcl.2010.01.007 Cyclin-dependent kinase 2 1
- 10.1007/s00044-011-9767-1 Entamoeba histolytica 1
29103873 10.1016/j.bmc.2017.10.027 HepG2 1
29103873 10.1016/j.bmc.2017.10.027 HeLa 1
29103873 10.1016/j.bmc.2017.10.027 MGC-803 1

Data from ChEMBL 36 via Core Engine