Compound Detail
CHEMBL435951
MITOZOLOMIDE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL435951 |
| Name | MITOZOLOMIDE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | QXYYYPFGTSJXNS-UHFFFAOYSA-N |
5
Targets
8
Activities
1
Assay Types
16
PK Parameters
20
Publications
3
Known Names
Molecular Properties
242.6
MW (Da)
-1.38
ALogP
7
HBA
1
HBD
108.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 8 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.6 | 4.94 | 2500.0 | 3 |
| TLX-5 CHEMBL615015 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| GM892A cell line CHEMBL614505 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.75 | 4.485 | 17900.0 | 2 |
| Raji CHEMBL614628 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.2 | hr | - |
| T1/2 | 1.167 | hr | - |
| T1/2 | 1.633 | hr | - |
| T1/2 | 1.222 | hr | - |
| T1/2 | 1.268 | hr | - |
| T1/2 | 1.18 | hr | - |
| T1/2 | 1.263 | hr | - |
| T1/2 | 1.24 | hr | - |
| T1/2 | 7.5 | hr | - |
| T1/2 | 7.453 | hr | - |
| T1/2 | 0.9467 | hr | - |
| T1/2 | 0.9467 | hr | - |
| T1/2 | 5.747 | hr | - |
| T1/2 | 5.777 | hr | - |
| T1/2 | 4.417 | hr | - |
| T1/2 | 1.027 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TLX-5 | IC50 | = | 2500.0 | nM | 5.6 | In vitro cytotoxicity against mouse TLX5 lymphoma cells | 7739008 |
| NON-PROTEIN TARGET | IC50 | = | 2500.0 | nM | 5.6 | In vitro cytotoxicity against mouse TLX5 lymphoma cells | 12459014 |
| GM892A cell line | IC50 | = | 4800.0 | nM | 5.32 | In vitro cytotoxicity against human lymphoblastoid cell line (GM892 A) | 7739008 |
| HCT-116 | IC50 | = | 17900.0 | nM | 4.75 | Chemosensitization of p53-deficient human HCT116 cells after 5 days by MTT assay | 23895620 |
| NON-PROTEIN TARGET | IC50 | = | 20000.0 | nM | 4.7 | In vitro cytotoxicity against human xeroderma pigmentosum fibroblast cells HMGZi... | 12459014 |
| NON-PROTEIN TARGET | IC50 | = | 30000.0 | nM | 4.52 | In vitro cytotoxicity against human xeroderma pigmentosum fibroblast cells HMGZA... | 12459014 |
| Raji | IC50 | = | 39000.0 | nM | 4.41 | In vitro cytotoxicity against Raji cell line | 7739008 |
| HCT-116 | IC50 | = | 60000.0 | nM | 4.22 | Chemosensitization of human HCT116 cells expressing p53 after 5 days by MTT assa... | 23895620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6694168 | 10.1021/jm00368a016 | Mus musculus | 116 |
| 7739008 | 10.1021/jm00009a010 | ADMET | 22 |
| 2329560 | 10.1021/jm00167a018 | L1210 | 8 |
| 2329560 | 10.1021/jm00167a018 | TLX-5 | 8 |
| 3806616 | 10.1021/jm00385a018 | L1210 | 5 |
| - | 10.1039/C6MD00384B | U373 MG | 5 |
| - | 10.1039/C6MD00384B | SNB-19 | 5 |
| 3806616 | 10.1021/jm00385a018 | NON-PROTEIN TARGET | 5 |
| 12459014 | 10.1021/jm020936d | ADMET | 4 |
| 12459014 | 10.1021/jm020936d | NON-PROTEIN TARGET | 3 |
| 6694168 | 10.1021/jm00368a016 | ADMET | 3 |
| 23895620 | 10.1021/jm401121k | HCT-116 | 3 |
| 24900418 | 10.1021/ml300132t | NON-PROTEIN TARGET | 2 |
| 24900418 | 10.1021/ml300132t | A2780 | 2 |
| 7739008 | 10.1021/jm00009a010 | NON-PROTEIN TARGET | 1 |
| 7739008 | 10.1021/jm00009a010 | Raji | 1 |
| 7739008 | 10.1021/jm00009a010 | GM892A cell line | 1 |
| 7739008 | 10.1021/jm00009a010 | TLX-5 | 1 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine