Compound Detail
CHEMBL55
PENTAMIDINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL55 |
| Name | PENTAMIDINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XDRYMKDFEDOLFX-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
78
Targets
558
Activities
4
Assay Types
5
PK Parameters
20
Publications
14
Known Names
11
Indications
Molecular Properties
340.4
MW (Da)
2.88
ALogP
4
HBA
4
HBD
118.2
PSA (Ų)
0.30
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1984 |
| Availability | Prescription |
| Chirality | Achiral |
Indications
Infections Colorectal Neoplasms Diabetes Mellitus, Type 1 Leishmaniasis Lymphoma, AIDS-Related Melanoma Trypanosomiasis Carcinoma, Hepatocellular Hodgkin Disease Kidney Diseases Pancreatic Neoplasms
Activity Summary
IC50 415 meas. best 9.7
EC50 114 meas. best 9.96
Ki 23 meas. best 7.44
Kd 6 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 9.96 | 7.8397 | 0.1 | 38 |
| Trypanosoma brucei CHEMBL612849 | IC50 | 9.7 | 7.7918 | 0.2 | 17 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 9.47 | 7.5997 | 0.3 | 30 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 9.22 | 9.22 | 0.6 | 1 |
| Trypanosoma brucei gambiense CHEMBL613768 | EC50 | 9.15 | 8.4967 | 0.7 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 9.05 | 5.8557 | 0.9 | 7 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 9.0 | 8.3303 | 1.0 | 40 |
| Trypanosoma brucei gambiense CHEMBL613768 | IC50 | 9.0 | 8.4 | 1.0 | 7 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 8.85 | 8.1103 | 1.4 | 31 |
| Leishmania donovani CHEMBL367 | IC50 | 8.72 | 5.4649 | 1.9 | 75 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.68 | 6.136 | 2.1 | 5 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 8.62 | 6.5075 | 2.4 | 8 |
| Mus musculus CHEMBL375 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 8.19 | 7.3483 | 6.4 | 24 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 7.68 | 5.5394 | 21.0 | 31 |
| Leishmania tarentolae CHEMBL612915 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.44 | 5.89 | 36.0 | 7 |
| A549 CHEMBL392 | IC50 | 7.4 | 5.3175 | 40.0 | 4 |
| L6 CHEMBL614793 | IC50 | 7.33 | 4.8665 | 46.6 | 23 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 7.22 | 5.371 | 60.0 | 10 |
| Leishmania infantum CHEMBL612848 | IC50 | 7.21 | 5.3475 | 62.0 | 4 |
| Plasmodium falciparum CHEMBL364 | EC50 | 7.18 | 7.17 | 66.2 | 2 |
| Pneumocystis carinii CHEMBL613064 | IC50 | 7.08 | 6.43 | 84.0 | 6 |
| Unchecked CHEMBL612545 | Kd | 6.92 | 6.07 | 120.0 | 3 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.62 | 5.06 | 242.0 | 10 |
| Leishmania major CHEMBL612879 | EC50 | 6.55 | 5.9225 | 280.0 | 4 |
| Diamine oxidase [copper-containing] CHEMBL2118 | Ki | 6.54 | 6.54 | 290.0 | 1 |
| Protein tyrosine phosphatase type IVA 2 CHEMBL1075105 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Protein tyrosine phosphatase type IVA 1 CHEMBL1075169 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Protein tyrosine phosphatase type IVA 3 CHEMBL4162 | IC50 | 6.52 | 5.02 | 300.0 | 3 |
| Multidrug and toxin extrusion protein 1 CHEMBL1743126 | IC50 | 6.39 | 5.8867 | 410.0 | 3 |
| Leishmania amazonensis CHEMBL612877 | EC50 | 6.34 | 5.6575 | 460.0 | 4 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.33 | 6.33 | 468.0 | 1 |
| Leishmania major CHEMBL612879 | IC50 | 6.33 | 5.3485 | 470.0 | 13 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 6.31 | 6.31 | 491.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.29 | 6.29 | 516.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.29 | 6.29 | 507.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | Ki | 6.27 | 6.27 | 535.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 6.25 | 5.59 | 560.0 | 3 |
| Glutamate NMDA receptor; GRIN1/GRIN2A CHEMBL1907604 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 6.1 | 6.1 | 793.0 | 1 |
| Leishmania guyanensis CHEMBL612793 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL315 | IC50 | 6.01 | 6.01 | 967.0 | 1 |
| Protein S100-B CHEMBL4300 | Kd | 6.0 | 6.0 | 1000.0 | 1 |
| Leishmania mexicana CHEMBL612880 | IC50 | 6.0 | 5.2714 | 1000.0 | 7 |
| J774.A1 CHEMBL614040 | IC50 | 5.99 | 5.99 | 1030.0 | 1 |
| Leishmania chagasi CHEMBL612790 | IC50 | 5.96 | 5.6667 | 1110.0 | 3 |
| Suppressor of tumorigenicity 14 protein CHEMBL3018 | Ki | 5.94 | 5.94 | 1160.0 | 1 |
| Solute carrier family 22 member 2 CHEMBL1743122 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 74.0 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 900.0 | nM | Homo sapiens |
| MRT | 12.0 | hr | Homo sapiens |
| T1/2 | 25.0 | hr | Homo sapiens |
| T1/2 | 265.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine