Compound Detail
CHEMBL820
BUSULFAN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL820 |
| Name | BUSULFAN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | COVZYZSDYWQREU-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
5
Targets
5
Activities
1
Assay Types
9
PK Parameters
20
Publications
13
Known Names
20
Indications
1
Mechanisms
Molecular Properties
246.3
MW (Da)
-0.28
ALogP
6
HBA
0
HBD
86.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1954 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| DNA inhibitor | INHIBITOR | DNA | ✓ | ✓ |
Indications
Hematopoietic Stem Cell Transplantation Leukemia Leukemia, Myelogenous, Chronic, BCR-ABL Positive Neoplasms Neoplasms Anemia, Refractory Anemia, Refractory, with Excess of Blasts Breast Neoplasms Breast Neoplasms Ganglioneuroblastoma Graft vs Host Disease Leukemia, Basophilic, Acute Leukemia, Erythroblastic, Acute Leukemia, Megakaryoblastic, Acute Leukemia, Monocytic, Acute Leukemia, Myeloid, Acute Leukemia, Myeloid, Acute Leukemia, Myelomonocytic, Acute Leukemia, Myelomonocytic, Chronic Lymphoma
ATC Classification
L01AB01
busulfan
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Drug Warnings
Black Box Warning
hematological toxicity
Black Box Warning
carcinogenicity
Activity Summary
IC50 5 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 5.28 | 5.28 | 5215.0 | 1 |
| CWR22R CHEMBL612657 | IC50 | 4.61 | 4.61 | 24300.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.59 | 4.59 | 25800.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.44 | 4.44 | 36200.0 | 1 |
| Colon 26 CHEMBL614466 | IC50 | 4.03 | 4.03 | 92500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 2.4 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.4 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.4 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.4 | mL.min-1.kg-1 | Homo sapiens |
| F | 80.0 | % | Homo sapiens |
| Fu | 1.0 | - | Homo sapiens |
| Fu | 1.0 | - | Homo sapiens |
| MRT | 3.8 | hr | Homo sapiens |
| T1/2 | 3.4 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 5215.0 | nM | 5.28 | DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substr... | - |
| CWR22R | IC50 | = | 24300.0 | nM | 4.61 | Growth inhibition of human 22Rv1 cells after 5 days by SRB assay | 32484346 |
| DU-145 | IC50 | = | 25800.0 | nM | 4.59 | Growth inhibition of human DU145 cells after 5 days by SRB assay | 32484346 |
| PC-3 | IC50 | = | 36200.0 | nM | 4.44 | Growth inhibition of human PC3 cells after 5 days by SRB assay | 32484346 |
| Colon 26 | IC50 | = | 92500.0 | nM | 4.03 | In vitro cytotoxicity causing 50% growth inhibition was determined against C26-1... | 11277538 |
Literature References
Data from ChEMBL 36 via Core Engine