Compound Detail
CHEMBL25105
HEXAMIDINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL25105 |
| Name | HEXAMIDINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | OQLKNTOKMBVBKV-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
11
Publications
2
Known Names
2
Indications
Molecular Properties
354.4
MW (Da)
3.27
ALogP
4
HBA
4
HBD
118.2
PSA (Ų)
0.28
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Eye Infections Nasal Obstruction
ATC Classification
D08AC04
hexamidine
Level 1: DERMATOLOGICALS
Level 2: ANTISEPTICS AND DISINFECTANTS
R01AX07
hexamidine
Level 1: RESPIRATORY SYSTEM
Level 2: NASAL PREPARATIONS
R02AA18
hexamidine
Level 1: RESPIRATORY SYSTEM
Level 2: THROAT PREPARATIONS
S01AX08
hexamidine
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS
S03AA05
hexamidine
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
Activity Summary
IC50 4 meas. best 4.28
Ki 3 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | Ki | 6.65 | 6.65 | 224.0 | 1 |
| Suppressor of tumorigenicity 14 protein CHEMBL3018 | Ki | 6.03 | 6.03 | 924.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 4.84 | 4.84 | 14400.0 | 1 |
| Protein arginine N-methyltransferase 1 CHEMBL5524 | IC50 | 4.28 | 4.28 | 52000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | Ki | = | 224.0 | nM | 6.65 | compound was tested for inhibitory activity against Thrombin | 11311057 |
| Suppressor of tumorigenicity 14 protein | Ki | = | 924.0 | nM | 6.03 | compound was tested for inhibitory activity against Matriptase | 11311057 |
| Urokinase-type plasminogen activator | Ki | = | 14400.0 | nM | 4.84 | compound was tested for inhibitory activity against Urokinase-type plasminogen a... | 11311057 |
| Protein arginine N-methyltransferase 1 | IC50 | = | 52000.0 | nM | 4.28 | Inhibition of PRMT1 (unknown origin) assessed as reduction in methyl transfer fr... | 28649316 |
| Protein arginine N-methyltransferase 1 | IC50 | = | 52000.0 | nM | 4.28 | Inhibition of PRMT1 (unknown origin) | 35014841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1738139 | 10.1021/jm00081a003 | Nucleic Acid | 4 |
| 28649316 | 10.1039/C6MD00573J | Protein arginine N-methyltransferase 1 | 3 |
| 28649316 | 10.1039/C6MD00573J | Protein arginine N-methyltransferase 5 | 3 |
| 23264854 | 10.1021/ml300166s | Malme-3M | 2 |
| 1738139 | 10.1021/jm00081a003 | Calf thymus DNA | 1 |
| 11311057 | 10.1021/jm000395x | Suppressor of tumorigenicity 14 protein | 1 |
| 11311057 | 10.1021/jm000395x | Urokinase-type plasminogen activator | 1 |
| 11311057 | 10.1021/jm000395x | Prothrombin | 1 |
| 9435905 | 10.1021/jm970488n | Leishmania amazonensis | 1 |
| 23264854 | 10.1021/ml300166s | Unchecked | 1 |
| 35014841 | 10.1021/acs.jmedchem.1c01208 | Protein arginine N-methyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine