| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2005 | 28 | Yes |
2-[[3-[ -2-[[ -2- -2-hydroxy-ethyl]amino]propyl]-1H-indol-7-yl]oxy]aceticacid
2-[[3-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]- 1H-indol-7-yl]oxy]acetic acid
| 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) | 3.10 | -2.76 | -77.19 | 4 | 6 | 0 | 101 | 402.878 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000027434A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1-1-E | Beta-1 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.41 | Functional ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 13 | 0.39 | Functional ≤ 10μM |
| ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 6.4 | 0.41 | Functional ≤ 10μM |
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 13 | 0.39 | Functional ≤ 10μM |
| ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 0.1 | 0.50 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events |
