R78
4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Find entries where: R78
is present as a standalone ligand in 16 entries
Chemical Component Summary | |
|---|---|
| Name | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide |
| Identifiers | 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide |
| Formula | C28 H39 N7 O3 |
| Molecular Weight | 521.654 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C |
| InChI | InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1 |
| InChIKey | XQVVPGYIWAGRNI-JOCHJYFZSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 77 |
| Chiral Atom Count | 1 |
| Bond Count | 81 |
| Aromatic Bond Count | 12 |
Drug Info: DrugBank
| DrugBank ID | DB16107? |
|---|---|
| Name | BI 2536 |
| Groups | investigational |
| Description | BI 2536 is under investigation in clinical trial NCT00376623 (Efficacy and Safety of BI 2536 in Advanced or Metastatic Non Small Cell Lung Cancer). |
| Synonyms | BI 2536 |
| Categories |
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| CAS number | 755038-02-9 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL513909 |
| PubChem | 11364421 |
| ChEMBL | CHEMBL513909 |
