Duocarmycin TM (CBI-TMI) is a potent antitumor antibiotic . Duocarmycin TM induces a sequence-selective alkylation of duplex DNA.
In Vitro
Duocarmycin TM (60 μM; 4 d; BJAB and WSU-DLCL2 cells) is a cytotoxic agent that inhibits the proliferation of tumor cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: BJAB and WSU-DLCL2 cells Concentration: 60 μM Incubation Time: 4 days Result: Inhibited the proliferation of tumor cells with IC 50 values of 0.153 μM and 0.079μM for BJAB and WSU-DLCL2 cells, respectively.
Form:Solid
IC50& Target:Duocarmycins
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Classe | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxamides and derivatives |
| Alternative Parents | Naphthols and derivatives Indoles 2-heteroaryl carboxamides Anisoles Pyrrole carboxamides 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Substituted pyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxamide derivative - 1-naphthol - Naphthalene - Indole - 2-heteroaryl carboxamide - Anisole - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Carboxylic acid derivative - Ether - Azacycle - Organooxygen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl chloride - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole. |
| External Descriptors | Not available |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Solubilité | DMSO : ≥ 50 mg/mL (107.09 mM) |
|---|---|
| Poids moléculaire | 466.900 g/mol |
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 466.13 Da |
| Monoisotopic Mass | 466.13 Da |
| Topological Polar Surface Area | 84.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 712.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
