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Compound Detail

CHEMBL489525

ISOCORYDINE
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COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3

Basic Information

ChEMBL ID CHEMBL489525
Name ISOCORYDINE
Phase Preclinical
Structure Type MOL
InChI Key QELDJEKNFOQJOY-ZDUSSCGKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
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 1.47

Activity Summary

IC50 1 meas. best 4.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 4.43 4.43 37000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 37000.0 nM 4.43 Antiplasmodial activity against multi drug-resistant Plasmodium falciparum K1 in... 11141105

Literature References

PubMed DOI Target Context # Activities
8786363 10.1021/np960195h Plasmodium falciparum 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
10978214 10.1021/np990639k Staphylococcus aureus 1
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
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 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