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Compound Detail

CHEMBL1357648

AMODIAQUINE HYDROCHLORIDE
💊 Approved Drug
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💊 Approved Drug
CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1357648
Name AMODIAQUINE HYDROCHLORIDE
Phase Approved
Structure Type MOL
InChI Key YVNAYSHNIILOJS-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL682
Active Moiety CHEMBL682

Known Names

Amodiaquine dihydrochloride dihydrate Amodiaquine hcl Amodiaquine hydrochloride Amodiaquine hydrochloride dihydrate Amodiaquini hydrochloridum Camoquin hydrochloride NSC-755863
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
7
Known Names
1
Mechanisms

Molecular Properties

355.9
MW (Da)
5.18
ALogP
4
HBA
2
HBD
48.4
PSA (Ų)
0.60
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1982
Availability Discontinued
Chirality Achiral

Routes of Administration

Oral

Extended Properties

Molecular Formula C20H28Cl3N3O3
MW 464.82
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.16

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Ferriprotoporphyrin IX inhibitor INHIBITOR Ferriprotoporphyrin IX ✓ ✓

Activity Summary

IC50 4 meas. best 5.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SARS-CoV-2
CHEMBL4303835
 IC50 5.63 5.445 2360.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SARS-CoV-2 IC50 = 2360.0 nM 5.63 IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 da... -
SARS-CoV-2 IC50 = 2590.0 nM 5.59 IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 da... -
SARS-CoV-2 IC50 = 4940.0 nM 5.31 IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 day... -
SARS-CoV-2 IC50 = 5640.0 nM 5.25 IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 day... -

Literature References

PubMed DOI Target Context # Activities
- 10.1101/2020.03.25.008482 SARS-CoV-2 6
- 10.1101/2020.03.25.008482 Vero C1008 4
- 10.1101/2020.03.25.008482 ADMET 4
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
- 10.6019/EOS300033 SARS-CoV-2 1
- 10.6019/EOS300108 HepG2 1

Data from ChEMBL 36 via Core Engine