| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 31 | Yes |
Popular Name: [5-[(2-ethyl-5,7-dimethyl-imidazo[5,4-b]pyridin-3-yl)methyl]indol-1-yl]-phenyl-methanone [5-[(2-ethyl-5,7-dimethyl-imidaz…
| 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) | 5.41 | 15.34 | -15.99 | 0 | 5 | 0 | 53 | 408.505 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.41 | 15.77 | -35.23 | 1 | 5 | 1 | 54 | 409.513 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.41 | 15.59 | -38.56 | 1 | 5 | 1 | 54 | 409.513 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.41 | 16.02 | -97.49 | 2 | 5 | 2 | 55 | 410.521 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTR1-1-E | Angiotensin II Type 1a (AT-1a) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 240 | 0.30 | Functional ≤ 10μM |
| AGTR2-1-E | Angiotensin II Type 2 (AT-2) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8900 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AGTR1_HUMAN | P30556 | Angiotensin II Type 1 Receptor, Human | 240 | 0.30 | Functional ≤ 10μM |
| AGTR2_RAT | P35351 | Angiotensin II Type 2 (AT-2) Receptor, Rat | 8900 | 0.23 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
