Selectivity data for probe JNJ-9350 and control JNJ-4545
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JNJ-9350
Compound concentration: 10 µM| Receptor | HGNC target name | Inhibition [%] (Primary experimental value) | Ki [nM] (Secondary experimental value) | pKi |
|---|---|---|---|---|
| 5-HT1A | HTR1A | 13.07 | ||
| 5-HT1E | HTR1E | 0.95 | ||
| 5-HT2A | HTR2A | 27.36 | ||
| 5-HT2B | HTR2B | 57.92 | 897.02 | 6.05 |
| 5-HT2C | HTR2C | 28.43 | ||
| 5-HT3 | HTR3A | 25.64 | ||
| 5-HT5A | HTR5A | 17.54 | ||
| 5-HT6 | HTR6 | -12.43 | ||
| 5-HT7A | HTR7 | 8.26 | ||
| Alpha1A | ADRA1A | 3.52 | ||
| Alpha1B | ADRA1B | 10.25 | ||
| Alpha1D | ADRA1D | 28.06 | ||
| Alpha2A | ADRA2A | 64.00 | 3826.48 | 5.42 |
| Alpha2B | ADRA2B | 42.24 | 3579.32 | 5.45 |
| Alpha2C | ADRA2C | 20.08 | ||
| Beta1 | ADRB1 | 2.96 | ||
| Beta2 | ADRB2 | -4.50 | ||
| GABAA/BZP | -16.10 | |||
| D1 | DRD1 | 28.93 | ||
| D2 | DRD2 | 25.33 | ||
| D3 | DRD3 | 40.47 | ||
| D4 | DRD4 | 20.91 | ||
| D5 | DRD5 | 20.40 | ||
| DAT | SLC6A3 | 47.72 | ||
| DOR | OPRD1 | 17.15 | ||
| H1 | HRH1 | 4.87 | ||
| H3 | HRH3 | -7.55 | ||
| H4 | HRH4 | 32.65 | ||
| KOR | OPRK1 | 73.33 | 1168.96 | 5.93 |
| M1 | CHRM1 | 24.76 | ||
| M2 | CHRM2 | 24.29 | ||
| M3 | CHRM3 | 31.99 | ||
| M4 | CHRM4 | 36.60 | ||
| M5 | CHRM5 | 37.91 | ||
| MOR | OPRM1 | 24.77 | ||
| NET | SLC6A2 | 46.02 | ||
| GABA/PBR | 114.10 | 497.62 | 6.30 | |
| SERT | SLC6A4 | 16.60 | ||
| Sigma 1 | SIGMAR1 | 30.52 | ||
| Sigma 2 | TMEM97 | 76.70 | 1924.86 | 5.72 |
| 5-HT1B | HTR1B | 103.72 | 477.93 average (n=2) | 6.39 |
| 5-HT1D | HTR1D | 100.58 | 219.42 average (n=2) | 6.71 |
| Beta3 | ADRB3 | -7.92 | ||
| H2 | HRH2 | 26.91 |
JNJ-4545
Compound concentration: 10 µM| Receptor | HGNC target name | Inhibition [%] (Primary experimental value) | Ki [nM] (Secondary experimental value) | pKi |
|---|---|---|---|---|
| H2 | HRH2 | 10.75 | ||
| Beta3 | ADRB3 | -5.81 | ||
| 5-HT1B | HTR1B | 38.40 | ||
| 5-HT1D | HTR1D | 48.54 | ||
| 5-HT1A | HTR1A | 16.49 | ||
| 5-HT1E | HTR1E | 15.07 | ||
| 5-HT2A | HTR2A | 17.84 | ||
| 5-HT2B | HTR2B | 17.48 | ||
| 5-HT2C | HTR2C | 7.86 | ||
| 5-HT3 | HTR3A | 16.19 | ||
| 5-HT5A | HTR5A | 6.76 | ||
| 5-HT6 | HTR6 | -8.97 | ||
| 5-HT7A | HTR7 | 0.12 | ||
| Alpha1A | ADRA1A | -7.41 | ||
| Alpha1B | ADRA1B | 75.32 | 9783.63 | 5.01 |
| Alpha1D | ADRA1D | 39.32 | ||
| Alpha2A | ADRA2A | 28.14 | ||
| Alpha2B | ADRA2B | 10.80 | ||
| Alpha2C | ADRA2C | -1.48 | ||
| Beta1 | ADRB1 | 4.27 | ||
| Beta2 | ADRB2 | -7.96 | ||
| GABAA/BZP | 25.92 | |||
| D1 | DRD1 | 22.71 | ||
| D2 | DRD2 | 32.17 | ||
| D3 | DRD3 | 89.96 | 3603.30 | 5.44 |
| D4 | DRD4 | 89.30 | 3385.32 | 5.47 |
| D5 | DRD5 | 14.96 | ||
| DAT | SLC6A3 | 79.87 | 6549.38 | 5.18 |
| DOR | OPRD1 | 49.26 | ||
| H1 | HRH1 | 14.95 | ||
| H3 | HRH3 | 6.04 | ||
| H4 | HRH4 | 27.93 | ||
| KOR | OPRK1 | 90.74 | 197.79 | 6.70 |
| M1 | CHRM1 | 18.51 | ||
| M2 | CHRM2 | 46.12 | ||
| M3 | CHRM3 | 33.49 | ||
| M4 | CHRM4 | 51.65 | 1307.68 | 5.88 |
| M5 | CHRM5 | 30.34 | ||
| MOR | OPRM1 | 25.42 | ||
| NET | SLC6A2 | 49.42 | ||
| GABA/PBR | 96.59 | 306.41 | 6.51 | |
| SERT | SLC6A4 | 12.89 | ||
| Sigma 1 | SIGMAR1 | 21.23 | ||
| Sigma 2 | TMEM97 | 25.38 |
JNJ-9350
For the selectivity screen 10 µM compound was used.
Conclusion: Closest off-targets are ADORA1 (98.93 % inh.), ADORA2A (74.96 % inh.) and ADORA3 (75.06 % inh.)
| Target protein | HGNC name | Species | % inhibition at 10 µM | Mode of action |
|---|---|---|---|---|
| 5-HT1B (h) | HTR1B | Homo sapiens | 62.1 | antagonist |
| 5-HT2A (h) | HTR2A | Homo sapiens | 69.9 | agonist |
| 5-HT2B (h) | HTR2B | Homo sapiens | 68.5 | agonist |
| A1 (h) | ADORA1 | Homo sapiens | 98.9 | antagonist |
| A2A (h | ADORA2A | Homo sapiens | 75.0 | agonist |
| A3 (h) | ADORA3 | Homo sapiens | 75.1 | agonist |
| CCK1 (CCKA) (h) | CCKAR | Homo sapiens | 70.3 | agonist |
| kappa (h) (KOP) | OPRK1 | Homo sapiens | 74.1 | agonist |
| M4 (h) | CHRM4 | Homo sapiens | 59.8 | antagonist |
| MT1 (ML1A) (h) | MTNR1A | Homo sapiens | 58.8 | agonist |
| NK2 (h) | TACR2 | Homo sapiens | 56.8 | agonist |
| PDE4D2 (h) | PDE4D | Homo sapiens | 63.1 | |
| sigma (non-selective) (h) | Homo sapiens | 62.8 | agonist |