Molecule Details
| InChIKey | HMXDWDSNPRNUKI-UHFFFAOYSA-N |
|---|---|
| Compound Name | Surinabant |
| Canonical SMILES | CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 72 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.04 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB13070 |
|---|---|
| Drug Name | Surinabant |
| CAS Number | 288104-79-0 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Surinabant has been investigated for the treatment of Smoking Cessation. |
Categories: Agents producing tachycardia Cannabinoid Receptor Antagonists Cannabinoids and similars Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Neurotransmitter Agents Receptor, Cannabinoid, CB1, antagonists & inhibitors
Cross-references: BindingDB: 50171290 ChEBI: 125484 CHEMBL189676 ChemSpider: 8025329 PubChem:9849616 PubChem:347829198 Wikipedia: Surinabant ZINC: ZINC000001549068
Target Activities (72)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P21554 | CNR1 | Homo sapiens | Human | PF00001 | 8.5 | Ki | ChEMBL;BindingDB |
| P34972 | CNR2 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
| O95153 | TSPOAP1 | Homo sapiens | Human | PF25523 PF25566 PF07653 PF14604 | 6.0 | Ki | BindingDB |
| P01282 | VIP | Homo sapiens | Human | PF00123 | 6.0 | Ki | BindingDB |
| P04150 | NR3C1 | Homo sapiens | Human | PF02155 PF00104 PF00105 | 6.0 | Ki | BindingDB |
| P06881 | CALCA | Homo sapiens | Human | PF00214 | 6.0 | Ki | BindingDB |
| P07550 | ADRB2 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P08588 | ADRB1 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 6.0 | Ki | BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P21452 | TACR2 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P21918 | DRD5 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P22466 | GAL | Homo sapiens | Human | PF01296 PF06540 | 6.0 | Ki | BindingDB |
| P24530 | EDNRB | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P25021 | HRH2 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P25101 | EDNRA | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P25103 | TACR1 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P25105 | PTAFR | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P25929 | NPY1R | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P28336 | NMBR | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P29274 | ADORA2A | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P29371 | TACR3 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P30518 | AVPR2 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P30542 | ADORA1 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P30550 | GRPR | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P30556 | AGTR1 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P30990 | NTS | Homo sapiens | Human | PF07421 | 6.0 | Ki | BindingDB |
| P32239 | CCKBR | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P35498 | SCN1A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 6.0 | Ki | BindingDB |
| P35523 | CLCN1 | Homo sapiens | Human | PF00654 | 6.0 | Ki | BindingDB |
| P39086 | GRIK1 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.0 | Ki | BindingDB |
| P41145 | OPRK1 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P42263 | GRIA3 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.0 | Ki | BindingDB |
| P46098 | HTR3A | Homo sapiens | Human | PF02931 PF02932 | 6.0 | Ki | BindingDB |
| P47898 | HTR5A | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P47900 | P2RY1 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P48039 | MTNR1A | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P48048 | KCNJ1 | Homo sapiens | Human | PF01007 PF17655 | 6.0 | Ki | BindingDB |
| P49146 | NPY2R | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| P51575 | P2RX1 | Homo sapiens | Human | PF00864 | 6.0 | Ki | BindingDB |
| P61278 | SST | Homo sapiens | Human | PF03002 | 6.0 | Ki | BindingDB |
| Q00975 | CACNA1B | Homo sapiens | Human | PF08763 PF16905 PF00520 | 6.0 | Ki | BindingDB |
| Q05586 | GRIN1 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.0 | Ki | BindingDB |
| Q06432 | CACNG1 | Homo sapiens | Human | PF13903 | 6.0 | Ki | BindingDB |
| Q09470 | KCNA1 | Homo sapiens | Human | PF02214 PF00520 | 6.0 | Ki | BindingDB |
| Q13639 | HTR4 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| Q13936 | CACNA1C | Homo sapiens | Human | PF08763 PF16885 PF16905 PF00520 | 6.0 | Ki | BindingDB |
| Q14C71 | GLRA1 | Homo sapiens | Human | PF02931 PF02932 | 6.0 | Ki | BindingDB |
| Q16558 | KCNMB1 | Homo sapiens | Human | PF03185 | 6.0 | Ki | BindingDB |
| Q99250 | SCN2A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 6.0 | Ki | BindingDB |
| Q9NPC1 | LTB4R2 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
| Q9Y2I1 | NISCH | Homo sapiens | Human | PF25625 PF23142 PF00787 | 6.0 | Ki | BindingDB |
| Q9Y587 | AP4S1 | Homo sapiens | Human | PF01217 | 6.0 | Ki | BindingDB |
| Q9Y5N1 | HRH3 | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P21554 | CNR1 | Cannabinoid receptor 1 | modulator | targets |