| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 29 | Yes |
Popular Name: SB 271046 hydrochloride SB 271046 hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 209481-20-9 , 209481-20-9; 209481-24-3 , 209481-24-3
4-(3-chloro-1,4-dioxonaphthalen-2-yl)aminobenzenesulfonamide
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.37 | 6.89 | -66.45 | 2 | 6 | 0 | 77 | 452.001 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.37 | 5.59 | -46.63 | 1 | 6 | -1 | 73 | 450.993 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | 5-HT Receptor | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-4-E | Serotonin 1a (5-HT1a) Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 340 | 0.31 | Binding ≤ 10μM |
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1740 | 0.28 | Binding ≤ 10μM |
| 5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 530 | 0.30 | Binding ≤ 10μM |
| 5HT6R-2-E | Serotonin 6 (5-HT6) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 13 | 0.38 | Binding ≤ 10μM |
| 5HT7R-2-E | Serotonin 7 (5-HT7) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 260 | 0.32 | Binding ≤ 10μM |
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 120 | 0.33 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1330 | 0.28 | Binding ≤ 10μM |
| DRD4-1-E | Dopamine D4 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 130 | 0.33 | Binding ≤ 10μM |
| DRD2-4-E | Dopamine D2 Receptor (cluster #4 Of 24), Eukaryotic | Eukaryotes | 460 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 120 | 0.33 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 460 | 0.31 | Binding ≤ 1μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 130 | 0.33 | Binding ≤ 1μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 340 | 0.31 | Binding ≤ 1μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 530 | 0.30 | Binding ≤ 1μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 0.66 | 0.44 | Binding ≤ 1μM |
| 5HT7R_HUMAN | P34969 | Serotonin 7 (5-HT7) Receptor, Human | 260 | 0.32 | Binding ≤ 1μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 120 | 0.33 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 460 | 0.31 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 1330 | 0.28 | Binding ≤ 10μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 130 | 0.33 | Binding ≤ 10μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 340 | 0.31 | Binding ≤ 10μM |
| 5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 1740 | 0.28 | Binding ≤ 10μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 530 | 0.30 | Binding ≤ 10μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 0.66 | 0.44 | Binding ≤ 10μM |
| 5HT7R_HUMAN | P34969 | Serotonin 7 (5-HT7) Receptor, Human | 260 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Serotonin receptors |
No pre-computed analogs available. Try a structural similarity search.