| Compound Information | SONAR Target prediction |
| Name: | Carmustine |
| Unique Identifier: | LOPAC 00744 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C5Cl2H9N3O2 |
| Molecular Weight: | 204.978 g/mol |
| X log p: | 0.618 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 49.74 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 7 |
| Canonical Smiles: | ClCCNC(=O)N(CCCl)N=O |
| Class: | DNA |
| Action: | Intercalator |
| Generic_name: | Carmustine |
| Chemical_iupac_name: | 1,3-bis(2-chloroethyl)-1-nitroso-urea |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA448810 |
| Kegg_compound_id: | C06873 |
| Drugbank_id: | APRD00006 |
| Melting_point: | 31 oC |
| H2o_solubility: | < 0.1 g/100 mL at 18 °C |
| Logp: | 1.256 |
| Cas_registry_number: | 154-93-8 |
| Drug_category: | Antineoplastic Agents; ATC:L01AD01 |
| Indication: | For the treatment of brain tumors, multiple myeloma, Hodgkin-s disease and Non-Hodgkin-s lymphomas. |
| Pharmacology: | Carmustine is one of the nitrosoureas indicated as palliative therapy as a single agent or in established combination therapy with other approved chemotherapeutic agents in treatment of brain tumors, multiple myeloma, Hodgkin-s disease, and non-Hodgkin-s lymphomas. Although it is generally agreed that carmustine alkylates DNA and RNA, it is not cross resistant with other alkylators. As with other nitrosoureas, it may also inhibit several key enzymatic processes by carbamoylation of amino acids in proteins. |
| Mechanism_of_action: | Carmustine causes cross-links in DNA and RNA, leading to the inhibition of DNA synthesis, RNA production and RNA translation (protein synthesis). Carmustine also binds to and modifies (carbamoylates) glutathione reductase. This leads to cell death. |
| Organisms_affected: | Humans and other mammals |
| Found: 24 nonactive as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [24] |
| Species: | 4932 |
| Condition: | CIN2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.8606±0.0079196 |
| Normalized OD Score: sc h | 0.9998±0.00446186 |
| Z-Score: | -0.0325±0.341288 |
| p-Value: | 0.8094 |
| Z-Factor: | -13.5135 |
| Fitness Defect: | 0.2115 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 3 |
| 2578 | 1,3-bis(2-chloroethyl)-1-nitroso-urea |
| 151563 | 1,3-bis(2-chloroethyl)-1-nitroso-urea |
| 450682 | 1,3-bis(2-chloroethyl)-1-nitroso-urea |
| internal high similarity DBLink | Rows returned: 1 |
| SPE01503110 | 1.0000 |
| active | Cluster 2382 | Additional Members: 3 | Rows returned: 2 |
| SPE01503422 | 0.565217391304348 |
| SPE01503110 | 0 |
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