| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 31 | Yes |
Popular Name: CP-96345 CP-96345
| 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) | 5.33 | 14.62 | -33.32 | 2 | 3 | 1 | 26 | 413.585 | 7 | ↓ |
| Mid Mid (pH 6-8) | 5.33 | 12.85 | -30.93 | 2 | 3 | 1 | 29 | 413.585 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAC1C-1-E | Voltage-gated L-type Calcium Channel Alpha-1C Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 240 | 0.30 | Binding ≤ 10μM |
| CAC1D-2-E | Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 240 | 0.30 | Binding ≤ 10μM |
| CAC1F-1-E | Voltage-gated L-type Calcium Channel Alpha-1F Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 240 | 0.30 | Binding ≤ 10μM |
| CAC1S-1-E | Voltage-gated L-type Calcium Channel Alpha-1S Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 240 | 0.30 | Binding ≤ 10μM |
| NK1R-1-E | Neurokinin 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| NK1R-1-E | Neurokinin 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| NK1R-1-E | Neurokinin 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9 | 0.36 | Binding ≤ 10μM |
| NK1R-1-E | Neurokinin 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 24 | 0.34 | Binding ≤ 10μM |
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.23 | Functional ≤ 10μM |
| NK1R-1-E | Neurokinin 1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.41 | Functional ≤ 10μM |
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 90 | 0.32 | Functional ≤ 10μM |
| Z80558-1-O | U11 MG (cluster #1 Of 1), Other | Other | 5 | 0.37 | Functional ≤ 10μM |
| Z80563-1-O | U-373 MG ( Glioblastoma Cells) (cluster #1 Of 1), Other | Other | 9 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NK1R_MOUSE | P30548 | Neurokinin 1 Receptor, Mouse | 24 | 0.34 | Binding ≤ 1μM |
| NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 0.8 | 0.41 | Binding ≤ 1μM |
| NK1R_RAT | P14600 | Neurokinin 1 Receptor, Rat | 32 | 0.34 | Binding ≤ 1μM |
| CAC1C_HUMAN | Q13936 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Human | 240 | 0.30 | Binding ≤ 1μM |
| CAC1D_HUMAN | Q01668 | Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Human | 240 | 0.30 | Binding ≤ 1μM |
| CAC1F_HUMAN | O60840 | Voltage-gated L-type Calcium Channel Alpha-1F Subunit, Human | 240 | 0.30 | Binding ≤ 1μM |
| CAC1S_HUMAN | Q13698 | Voltage-gated L-type Calcium Channel Alpha-1S Subunit, Human | 240 | 0.30 | Binding ≤ 1μM |
| CAC1S_RAT | Q02485 | Voltage-gated L-type Calcium Channel Alpha-1S Subunit, Rat | 240 | 0.30 | Binding ≤ 1μM |
| NK1R_MOUSE | P30548 | Neurokinin 1 Receptor, Mouse | 24 | 0.34 | Binding ≤ 10μM |
| NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 0.8 | 0.41 | Binding ≤ 10μM |
| NK1R_RAT | P14600 | Neurokinin 1 Receptor, Rat | 32 | 0.34 | Binding ≤ 10μM |
| CAC1C_HUMAN | Q13936 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Human | 240 | 0.30 | Binding ≤ 10μM |
| CAC1D_HUMAN | Q01668 | Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Human | 240 | 0.30 | Binding ≤ 10μM |
| CAC1F_HUMAN | O60840 | Voltage-gated L-type Calcium Channel Alpha-1F Subunit, Human | 240 | 0.30 | Binding ≤ 10μM |
| CAC1S_HUMAN | Q13698 | Voltage-gated L-type Calcium Channel Alpha-1S Subunit, Human | 240 | 0.30 | Binding ≤ 10μM |
| CAC1S_RAT | Q02485 | Voltage-gated L-type Calcium Channel Alpha-1S Subunit, Rat | 240 | 0.30 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 90 | 0.32 | Functional ≤ 10μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 10000 | 0.23 | Functional ≤ 10μM |
| NK1R_HUMAN | P25103 | Neurokinin 1 Receptor, Human | 0.56 | 0.42 | Functional ≤ 10μM |
| Z80563 | Z80563 | U-373 MG ( Glioblastoma Cells) | 9 | 0.36 | Functional ≤ 10μM |
| Z80558 | Z80558 | U11 MG | 4 | 0.38 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline,noradrenaline inhibits insulin secretion | |
| G alpha (q) signalling events | |
| Histamine receptors | |
| NCAM1 interactions | |
| Regulation of insulin secretion | |
| Tachykinin receptors bind tachykinins |
