Compound Detail
CHEMBL4303060
MELPHALAN FLUFENAMIDE 💊 Approved Drug
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💊 Approved Drug
CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1
Basic Information
| ChEMBL ID | CHEMBL4303060 |
| Name | MELPHALAN FLUFENAMIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | YQZNKYXGZSVEHI-VXKWHMMOSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL852 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
11
Known Names
2
Indications
Molecular Properties
498.4
MW (Da)
3.27
ALogP
5
HBA
2
HBD
84.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2021 |
| Availability | Withdrawn |
| Chirality | Single Enantiomer |
Indications
Neoplasms Multiple Myeloma
ATC Classification
L01AA10
melphalan flufenamide
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Drug Warnings
Withdrawn
General Warning
increased risk of death
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lymphoma cell line CHEMBL614114 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lymphoma cell line | IC50 | = | 11.0 | nM | 7.96 | Cytotoxicity against patient-derived human lymphoma cells assessed as cell growt... | 35665692 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35665692 | 10.1016/j.ejmech.2022.114494 | Lymphoma cell line | 2 |
Data from ChEMBL 36 via Core Engine