Compound Detail
CHEMBL125
MILTEFOSINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL125 |
| Name | MILTEFOSINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | PQLXHQMOHUQAKB-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
47
Targets
548
Activities
2
Assay Types
9
PK Parameters
20
Publications
7
Known Names
7
Indications
1
Mechanisms
Molecular Properties
407.6
MW (Da)
5.68
ALogP
4
HBA
0
HBD
58.6
PSA (Ų)
0.15
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2014 |
| Availability | Prescription |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Unknown | - | - | ✓ | ✓ |
Indications
Leishmaniasis Leishmaniasis, Cutaneous Leishmaniasis, Mucocutaneous Leishmaniasis, Visceral Trypanosomiasis Bipolar Disorder Urticaria
ATC Classification
P01CX04
miltefosine
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTIPROTOZOALS
Drug Warnings
Black Box Warning
teratogenicity
Activity Summary
IC50 464 meas. best 9.57
EC50 84 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 9.57 | 5.7255 | 0.3 | 198 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| Leishmania donovani CHEMBL367 | EC50 | 6.57 | 5.4388 | 270.0 | 33 |
| Unchecked CHEMBL612545 | IC50 | 6.36 | 5.6536 | 437.2 | 11 |
| Leishmania amazonensis CHEMBL612877 | EC50 | 6.36 | 6.0417 | 440.0 | 6 |
| Leishmania infantum CHEMBL612848 | EC50 | 6.3 | 5.5352 | 500.0 | 25 |
| Leishmania infantum CHEMBL612848 | IC50 | 6.3 | 5.2886 | 500.0 | 72 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 6.16 | 5.212 | 700.0 | 10 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 6.04 | 5.47 | 920.0 | 2 |
| Leishmania tropica CHEMBL612881 | IC50 | 5.94 | 5.24 | 1150.0 | 4 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.87 | 5.0455 | 1350.0 | 40 |
| Leishmania major CHEMBL612879 | IC50 | 5.84 | 5.0544 | 1440.0 | 16 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.82 | 5.03 | 1500.0 | 8 |
| Leishmania mexicana CHEMBL612880 | IC50 | 5.69 | 5.435 | 2030.0 | 2 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.68 | 4.8533 | 2075.0 | 3 |
| Leishmania mexicana CHEMBL612880 | EC50 | 5.55 | 5.505 | 2800.0 | 2 |
| RBL-2H3 CHEMBL614632 | IC50 | 5.34 | 5.34 | 4600.0 | 2 |
| THP-1 CHEMBL614245 | EC50 | 5.33 | 4.754 | 4670.0 | 5 |
| MDA-MB-435 CHEMBL614697 | IC50 | 5.3 | 4.97 | 5000.0 | 2 |
| Leishmania guyanensis CHEMBL612793 | IC50 | 5.3 | 4.8378 | 5000.0 | 9 |
| Leishmania major CHEMBL612879 | EC50 | 5.28 | 4.874 | 5310.0 | 5 |
| MES-SA/Dx5 CHEMBL613827 | IC50 | 5.27 | 5.27 | 5350.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.21 | 4.76 | 6150.0 | 2 |
| NCI-H460 CHEMBL396 | IC50 | 5.18 | 5.18 | 6620.0 | 1 |
| THP-1 CHEMBL614245 | IC50 | 5.16 | 4.6013 | 7000.0 | 15 |
| Leishmania aethiopica CHEMBL612651 | IC50 | 5.11 | 4.775 | 7832.0 | 2 |
| A549 CHEMBL392 | IC50 | 5.07 | 4.902 | 8500.0 | 5 |
| A2780 CHEMBL614004 | IC50 | 5.05 | 5.05 | 8870.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.04 | 4.6663 | 9200.0 | 8 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 5.0 | 4.74 | 10000.0 | 2 |
| A-431 CHEMBL614069 | IC50 | 4.92 | 4.595 | 12000.0 | 2 |
| Homo sapiens CHEMBL372 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 4.87 | 4.775 | 13500.0 | 2 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 4.84 | 4.7467 | 14500.0 | 3 |
| Leishmania martiniquensis CHEMBL4630669 | IC50 | 4.8 | 4.8 | 15790.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.78 | 4.43 | 16500.0 | 3 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.73 | 4.549 | 18800.0 | 10 |
| Giardia intestinalis CHEMBL612652 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.7 | 4.525 | 20000.0 | 2 |
| HL-60 CHEMBL383 | IC50 | 4.69 | 4.69 | 20400.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.67 | 4.43 | 21600.0 | 2 |
| Leishmania panamensis CHEMBL612882 | IC50 | 4.67 | 4.67 | 21300.0 | 1 |
| M-phase inducer phosphatase 1 CHEMBL3775 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| J774.A1 CHEMBL614040 | IC50 | 4.6 | 4.6 | 25350.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.6 | 4.6 | 24920.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.58 | 4.58 | 26300.0 | 1 |
| ADMET CHEMBL612558 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 4.47 | 4.47 | 34000.0 | 1 |
| Naegleria fowleri CHEMBL3301413 | EC50 | 4.45 | 4.45 | 35700.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 171745.42 | nM | Homo sapiens |
| T1/2 | 100.0 | hr | Homo sapiens |
| T1/2 | 100.0 | hr | Homo sapiens |
| T1/2 | 100.0 | hr | Homo sapiens |
| T1/2 | 1.667 | hr | Homo sapiens |
| T1/2 | 741.6 | hr | Homo sapiens |
| T1/2 | 150.0 | hr | Homo sapiens |
| T1/2 | 144.0 | hr | Homo sapiens |
| t1/2 | - | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine