| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2009 | 33 | No |
Popular Name: 1-Amino-4-(3-amino-4-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid 1-Amino-4-(3-amino-4-sulphoanili…
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CAS Number: [128-99-4]
| 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) | -1.63 | -1.09 | -103.7 | 5 | 11 | -2 | 213 | 487.471 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2Y12-1-E | Purinergic Receptor P2Y12 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2100 | 0.24 | Binding ≤ 10μM |
| P2RX2-1-E | P2X Purinoceptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1000 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2Y12_HUMAN | Q9H244 | Purinergic Receptor P2Y12, Human | 2100 | 0.24 | Binding ≤ 10μM |
| P2RX2_RAT | P49653 | P2X Purinoceptor 2, Rat | 1000 | 0.25 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ADP signalling through P2Y purinoceptor 12 | |
| G alpha (i) signalling events | |
| P2Y receptors |
