Molecule Details
| InChIKey | CZFFBEXEKNGXKS-UHFFFAOYSA-N |
|---|---|
| Compound Name | Raltegravir |
| Canonical SMILES | Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.93 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06817 |
|---|---|
| Drug Name | Raltegravir |
| CAS Number | 518048-05-0 |
| Groups | approved investigational |
| ATC Codes | J05AR16 J05AJ01 |
| Description | Raltegravir is an antiretroviral drug produced by Merck & Co., used to treat HIV infection. It received approval by the U.S. Food and Drug Administration (FDA) on 12 October 2007, the first of a new class of HIV drugs, the integrase inhibitors, to receive such approval. |
Categories: Agents Causing Muscle Toxicity Anti-HIV Agents Anti-Infective Agents Anti-Retroviral Agents Antiinfectives for Systemic Use Antiviral Agents Antivirals for Systemic Use Antivirals used in combination for the treatment of HIV infections Direct Acting Antivirals Enzyme Inhibitors HIV Integrase Inhibitors Human Immunodeficiency Virus Integrase Strand Transfer Inhibitor Integrase Inhibitors Pyrrolidines Pyrrolidinones UGT1A1 Substrates
Cross-references: BindingDB: 25351 ChEBI: 82960 CHEMBL254316 ChemSpider: 16445111 Drugs Product Database (DPD): 20173 D06676 PDB: RLT PubChem:54671008 PubChem:175427095 RxCUI: 719872 Wikipedia: Raltegravir ZINC: ZINC000013831130
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P32246 | CCR1 | Homo sapiens | Human | PF00001 | 8.3 | Ki | ChEMBL;BindingDB |
| P04585 | gag-pol | Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) | Pathogen | PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 | 7.8 | IC50 | BindingDB |
| Q76353 | Human immunodeficiency virus type 1 | Pathogen | PF00552 PF02022 PF00665 | 7.8 | IC50 | BindingDB | |
| Q7ZJM1 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00552 PF02022 PF00665 | 7.8 | IC50 | ChEMBL;BindingDB |