Compound Detail
CHEMBL224325
CHLORQUINALDOL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL224325 |
| Name | CHLORQUINALDOL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | GPTXWRGISTZRIO-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
2
Targets
2
Activities
2
Assay Types
4
PK Parameters
15
Publications
4
Known Names
1
Indications
1
Mechanisms
Molecular Properties
228.1
MW (Da)
3.56
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Unknown | - | - | ✓ | ✓ |
Indications
Amebiasis
ATC Classification
D08AH02
chlorquinaldol
Level 1: DERMATOLOGICALS
Level 2: ANTISEPTICS AND DISINFECTANTS
G01AC03
chlorquinaldol
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
P01AA04
chlorquinaldol
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTIPROTOZOALS
R02AA11
chlorquinaldol
Level 1: RESPIRATORY SYSTEM
Level 2: THROAT PREPARATIONS
Activity Summary
EC50 1 meas. best 5.27
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vacuolar aminopeptidase 1 CHEMBL1741175 | EC50 | 5.27 | 5.27 | 5385.0 | 1 |
| Botulinum neurotoxin type A CHEMBL5192 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 115.0 | hr | Rattus norvegicus |
| T1/2 | 0.6433 | hr | Rattus norvegicus |
| T1/2 | 24.5 | hr | Homo sapiens |
| T1/2 | 0.48 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vacuolar aminopeptidase 1 | EC50 | = | 5385.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Confirmatory Cherry Pick 3 SAR Dose Response Multiplex in TOR ... | - |
| Botulinum neurotoxin type A | IC50 | = | 10100.0 | nM | 5.0 | Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli asse... | 24387280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34865870 | 10.1016/j.ejmech.2021.113975 | Unchecked | 9 |
| 24387280 | 10.1021/jm4012164 | Plasma | 4 |
| 24387280 | 10.1021/jm4012164 | Liver microsome | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 24387280 | 10.1021/jm4012164 | No relevant target | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 17178795 | 10.1128/aac.01310-06 | Mycobacterium tuberculosis | 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 |
| 24387280 | 10.1021/jm4012164 | Botulinum neurotoxin type A | 1 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine