HEXAMETHYL PARAROSANILINE
| SMILES | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 |
| InChIKey | LGLFFNDHMLKUMI-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 372.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 6.25 | 6.25 | 6.25 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.56 | 6.56 | 6.56 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pKi | 5.95 | 5.95 | 5.95 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.04 | 6.04 | 6.04 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.81 | 5.81 | 5.81 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.58 | 6.58 | 6.58 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.12 | 6.12 | 6.12 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.55 | 6.55 | 6.55 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pKi | 5.63 | 5.63 | 5.63 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
| A2A | AA2AR | Human | Adenosine | A | pKi | 5.72 | 5.72 | 5.72 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.97 | 5.97 | 5.97 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| H2 | HRH2 | Human | Histamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| κ | OPRK | Human | Opioid | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| μ | OPRM | Human | Opioid | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| NK2 | NK2R | Human | Tachykinin | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| A2A | AA2AR | Human | Adenosine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| A3 | AA3R | Human | Adenosine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 5.44 | 5.44 | 5.44 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 5.9 | 5.9 | 5.9 | ChEMBL |
| NK2 | NK2R | Human | Tachykinin | A | pIC50 | 5.78 | 5.78 | 5.78 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.72 | 5.72 | 5.72 | ChEMBL |
| H2 | HRH2 | Human | Histamine | A | pIC50 | 5.94 | 5.94 | 5.94 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.27 | 6.27 | 6.27 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.27 | 6.27 | 6.27 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.36 | 5.36 | 5.36 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.84 | 5.84 | 5.84 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 5.51 | 5.51 | 5.51 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.08 | 6.08 | 6.08 | ChEMBL |
| A3 | AA3R | Human | Adenosine | A | pIC50 | 5.38 | 5.38 | 5.38 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 5.81 | 5.81 | 5.81 | ChEMBL |
| A2A | AA2AR | Human | Adenosine | A | pIC50 | 5.47 | 5.47 | 5.47 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 5.67 | 5.67 | 5.67 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.5 | 5.5 | 5.5 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.7 | 4.7 | 4.7 | ChEMBL |