Molecule Details
InChIKeyYVENIGOVHPMTDH-UHFFFAOYSA-N
Compound Name5-Methyl-13-thia-1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-8(21),9,11,15,17,19-hexaene
Canonical SMILESCN1CCC2C(C1)c1cccc3c1N2c1ccccc1CS3
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)23
Pfam Stratification Cross-Family
Avg pChEMBL7.17
SourceChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (23)
Target Gene Organism Category Pfam pChEMBL Type Source
P28223 HTR2A Homo sapiens Human PF00001 8.7 Ki ChEMBL
P35367 HRH1 Homo sapiens Human PF00001 8.5 Ki ChEMBL
P41595 HTR2B Homo sapiens Human PF00001 8.3 Ki ChEMBL
P28335 HTR2C Homo sapiens Human PF00001 8.1 Ki ChEMBL
P50406 HTR6 Homo sapiens Human PF00001 7.8 Ki ChEMBL
P21728 DRD1 Homo sapiens Human PF00001 7.6 Ki ChEMBL
P18825 ADRA2C Homo sapiens Human PF00001 7.5 Ki ChEMBL
P35462 DRD3 Homo sapiens Human PF00001 7.5 Ki ChEMBL
P08908 HTR1A Homo sapiens Human PF00001 7.4 Ki ChEMBL
P08913 ADRA2A Homo sapiens Human PF00001 7.2 Ki ChEMBL
P28221 HTR1D Homo sapiens Human PF00001 7.2 Ki ChEMBL
P25021 HRH2 Homo sapiens Human PF00001 7.1 Ki ChEMBL
P34969 HTR7 Homo sapiens Human PF00001 7.1 Ki ChEMBL
P14416 DRD2 Homo sapiens Human PF00001 6.9 Ki ChEMBL
P18089 ADRA2B Homo sapiens Human PF00001 6.7 Ki ChEMBL
P21917 DRD4 Homo sapiens Human PF00001 6.7 Ki ChEMBL
P21918 DRD5 Homo sapiens Human PF00001 6.7 Ki ChEMBL
P47898 HTR5A Homo sapiens Human PF00001 6.7 Ki ChEMBL
P28222 HTR1B Homo sapiens Human PF00001 6.5 Ki ChEMBL
P35348 ADRA1A Homo sapiens Human PF00001 6.3 Ki ChEMBL
P46098 HTR3A Homo sapiens Human PF02931 PF02932 6.2 Ki ChEMBL
P08912 CHRM5 Homo sapiens Human PF00001 6.1 Ki ChEMBL
P25100 ADRA1D Homo sapiens Human PF00001 6.1 Ki ChEMBL