Compound Detail
CHEMBL849
TRICLOSAN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL849 |
| Name | TRICLOSAN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XEFQLINVKFYRCS-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
17
Targets
118
Activities
4
Assay Types
1
PK Parameters
20
Publications
14
Known Names
5
Indications
1
Mechanisms
Molecular Properties
289.6
MW (Da)
5.14
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.83
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1997 |
| Availability | Discontinued |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Bacterial enoyl-[acyl-carrier-protein] reductase inhibitor | INHIBITOR | Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | ✓ | ✓ |
Indications
Gingivitis Hypersensitivity Mucositis Periodontal Diseases Periodontitis
ATC Classification
D08AE04
triclosan
Level 1: DERMATOLOGICALS
Level 2: ANTISEPTICS AND DISINFECTANTS
D09AA06
triclosan
Level 1: DERMATOLOGICALS
Level 2: MEDICATED DRESSINGS
Activity Summary
IC50 77 meas. best 8.3
Ki 27 meas. best 10.28
EC50 13 meas. best 5.81
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-acyl-carrier protein reductase CHEMBL4150 | Ki | 10.28 | 8.19 | 0.1 | 16 |
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI CHEMBL3994 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI CHEMBL1857 | IC50 | 8.3 | 6.772 | 5.0 | 5 |
| Enoyl-acyl carrier reductase CHEMBL1250368 | IC50 | 7.82 | 7.82 | 15.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.6 | 6.1736 | 25.0 | 22 |
| Enoyl-[acyl-carrier-protein] reductase [NADH] CHEMBL2150835 | IC50 | 7.3 | 5.956 | 50.0 | 5 |
| Unchecked CHEMBL612545 | Ki | 7.3 | 6.965 | 50.0 | 2 |
| Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI CHEMBL3994 | IC50 | 7.23 | 6.6383 | 59.0 | 6 |
| Carbonyl reductase [NADPH] 1 CHEMBL5586 | Ki | 7.22 | 7.22 | 60.0 | 1 |
| Enoyl-acyl-carrier protein reductase CHEMBL4150 | IC50 | 7.18 | 7.095 | 66.0 | 8 |
| Enoyl-[acyl-carrier-protein] reductase [NADH] CHEMBL1849 | Ki | 6.7 | 6.692 | 200.0 | 5 |
| Enoyl-[acyl-carrier-protein] reductase [NADH] CHEMBL1849 | IC50 | 6.7 | 5.8043 | 200.0 | 7 |
| Carbonyl reductase [NADPH] 1 CHEMBL5586 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.37 | 5.8292 | 424.4 | 12 |
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI CHEMBL1075044 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Escherichia coli CHEMBL354 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 5.81 | 5.5167 | 1550.0 | 9 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.54 | 4.505 | 28570.0 | 2 |
| Leishmania panamensis CHEMBL612882 | EC50 | 4.41 | 4.41 | 38610.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.31 | 4.31 | 48970.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.28 | 4.28 | 52960.0 | 1 |
| Transthyretin CHEMBL3194 | IC50 | 4.27 | 4.27 | 53500.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.08 | 4.08 | 82250.0 | 1 |
| Endoplasmic reticulum chaperone BiP CHEMBL1781865 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 10.8 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine