DrugRep
Virtual Screening Server for Drug Repurposing
| ID | DB12978 | DB13520 | DB11942 | DB00838 | DB08912 | DB00223 | DB12952 | DB00894 | DB01591 |
| Name | Pexidartinib | Metergoline | Selinexor | Clocortolone | Dabrafenib | Diflorasone | Methylprednisone | Testolactone | Solifenacin |
| Score | -8.2 | -7.6 | -7.6 | -7.5 | -7.5 | -7.4 | -7.4 | -7.4 | -7.0 |
Selected drugs' information:
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2D image: ( Click on the picture to enlarge ) |
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| Molecular Weight: | |||||
| No. of Hydrogen Bond Donors: | |||||
| No. of Hydrogen Bond Acceptors: | |||||
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No. of Rotatable Bonds: ( When the rotatable bonds are relatively large, the docking result may be inaccurate. ) |
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| No. of Nitrogen and Oxygen Atoms: | |||||
| No. of Rings: | |||||
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| External links: |
Download the Receptor-based Screen result.
| ID | Name | Formula | CAS | Score | Xscore | MW | HBD | HBA | RB | NOA | Rings | LogP |
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| DB12978 | Pexidartinib | C20H15ClF3N5 | 1029044-16-3 | -8.2 | -8.31 | 417.82 | 1 | 3 | 5 | 5 | 4 | 4.4 |
| DB13520 | Metergoline | C25H29N3O2 | 17692-51-2 | -7.6 | -8.08 | 403.526 | 1 | 1 | 6 | 5 | 5 | 3.7 |
| DB11942 | Selinexor | C17H11F6N7O | 1393477-72-9 | -7.6 | -8.24 | 443.313 | 2 | 5 | 6 | 8 | 3 | 3.0 |
| DB00838 | Clocortolone | C22H28ClFO4 | 4828-27-7 | -7.5 | -8.43 | 410.907 | 2 | 4 | 4 | 4 | 4 | 2.6 |
| DB08912 | Dabrafenib | C23H20F3N5O2S2 | 1195765-45-7 | -7.5 | -8.77 | 519.562 | 2 | 5 | 6 | 7 | 4 | 4.7 |
| DB00223 | Diflorasone | C22H28F2O5 | 2557-49-5 | -7.4 | -8.38 | 410.4515 | 3 | 5 | 5 | 5 | 4 | 1.9 |
| DB12952 | Methylprednisone | C22H28O5 | 91523-05-6 | -7.4 | -8.39 | 372.461 | 2 | 5 | 4 | 5 | 4 | 1.8 |
| DB00894 | Testolactone | C19H24O3 | 968-93-4 | -7.4 | -8.28 | 300.3921 | 0 | 2 | 0 | 3 | 4 | 3.0 |
| DB01591 | Solifenacin | C23H26N2O2 | 242478-37-1 | -7.0 | -8.40 | 362.473 | 0 | 1 | 4 | 4 | 5 | 3.9 |