| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 23 | Yes |
Popular Name: PPHT hydrochloride PPHT hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Number: 71787-90-1
| 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) | 5.27 | 10.75 | -42.81 | 2 | 2 | 1 | 25 | 310.461 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.27 | 8.82 | -4.25 | 1 | 2 | 0 | 23 | 309.453 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 40 | 0.45 | Binding ≤ 10μM |
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 6500 | 0.32 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 40 | 0.45 | Binding ≤ 10μM |
| DRD4-3-E | Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 54 | 0.44 | Binding ≤ 10μM |
| EPYC-1-E | Small Chondroitin/dermatan Sulfate Proteoglycan (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.55 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 794 | 0.37 | Functional ≤ 10μM |
| DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 40 | 0.45 | Binding ≤ 10μM |
| DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 60 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_BOVIN | Q95136 | Dopamine D1 Receptor, Bovin | 180 | 0.41 | Binding ≤ 1μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 804 | 0.37 | Binding ≤ 1μM |
| DRD2_BOVIN | P20288 | Dopamine D2 Receptor, Bovin | 180 | 0.41 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 13.3 | 0.48 | Binding ≤ 1μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 180 | 0.41 | Binding ≤ 1μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 180 | 0.41 | Binding ≤ 1μM |
| EPYC_HUMAN | Q99645 | Small Chondroitin/dermatan Sulfate Proteoglycan, Human | 0.5 | 0.57 | Binding ≤ 1μM |
| DRD1_BOVIN | Q95136 | Dopamine D1 Receptor, Bovin | 180 | 0.41 | Binding ≤ 10μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 804 | 0.37 | Binding ≤ 10μM |
| DRD2_BOVIN | P20288 | Dopamine D2 Receptor, Bovin | 180 | 0.41 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 13.3 | 0.48 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 180 | 0.41 | Binding ≤ 10μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 180 | 0.41 | Binding ≤ 10μM |
| EPYC_HUMAN | Q99645 | Small Chondroitin/dermatan Sulfate Proteoglycan, Human | 0.5 | 0.57 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 794.328235 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events |
