| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 18 | No |
Popular Name: Pinacidil Pinacidil
Find On: PubMed — Wikipedia — Google
CAS Numbers: 112665-43-7 , 60560-33-0 , 85371-64-8 , 85371-64-8, 60560-33-0 , 85371-64-8, 60560-33-0 [anhydrous] , [85371-64-8]
( inverted question mark)-N-Cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylpropyl)-guanidine
(+/-)-N-Cyano-N'-4-pyridinyl-N"-(1,2,2-trimethylpropyl)guanidine
1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylguanidine
2-Cyano-3-(4-pyridinyl)-1-(1,2,2-trimethylpropyl)guanidine
2-Cyano-3-(4-pyridyl)-1-(1,2,2-trimethylpropyl)guanidine monohydrate
85371-64-8; D05482; Pinacidil (USAN); Pinacidil hydrate; Pindac (TN)
85371-64-8; Prestwick_396; pinacidil
CPD000466919; Pinacidil monohydrate
CPD000466919; Pinacidil monohydrate; SAM001246907
CPD000466919; Pinacidil; Pinacidil monohydrate; SAM001246907
Guanidine, 2-cyano-3-(4-pyridyl)-1-(1,2,2-trimethylpropyl)-, monohydrate
Guanidine, N-cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylpropyl)-
Guanidine, N-cyano-N'-4-pyridinyl-N''-(1,2,2-trimethylpropyl)-, monohydrate
| 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) | 2.18 | 9.68 | -19.84 | 2 | 5 | 0 | 76 | 245.33 | 4 | ↓ |
| Ref Reference (pH 7) | 2.18 | 8.8 | -19.26 | 2 | 5 | 0 | 76 | 245.33 | 4 | ↓ |
| Ref Reference (pH 7) | 2.01 | 8.02 | -6.12 | 2 | 5 | 0 | 73 | 245.33 | 5 | ↓ |
| Ref Reference (pH 7) | 2.01 | 10.47 | -5.37 | 2 | 5 | 0 | 73 | 245.33 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 8.31 | -33.34 | 1 | 5 | -1 | 75 | 244.322 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.01 | 10.06 | -33.2 | 1 | 5 | -1 | 75 | 244.322 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 9.19 | -29.92 | 1 | 5 | -1 | 75 | 244.322 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.01 | 10.09 | -30.29 | 1 | 5 | -1 | 75 | 244.322 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.01 | 10.22 | -9.07 | 2 | 5 | 0 | 73 | 245.33 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.01 | 8.58 | -4.5 | 2 | 5 | 0 | 73 | 245.33 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.01 | 8.47 | -33.8 | 3 | 5 | 1 | 74 | 246.338 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.01 | 10.7 | -36.72 | 3 | 5 | 1 | 74 | 246.338 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.01 | 10.93 | -33.34 | 3 | 5 | 1 | 74 | 246.338 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.01 | 9.05 | -33.93 | 3 | 5 | 1 | 74 | 246.338 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| therap | K channel agonist, antihypertensive | MicroSource Spectrum |
| Therapy | K+ channel activator; antihypertensive | SMDC Pharmakon |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : P154; 1 water | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: P154; SALT: 1 water | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABCC9-2-E | Sulfonylurea Receptor 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3540 | 0.42 | Binding ≤ 10μM |
| IRK11-2-E | Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 320 | 0.51 | Binding ≤ 10μM |
| Z102306-1-O | Aorta (cluster #1 Of 6), Other | Other | 350 | 0.50 | Functional ≤ 10μM |
| Z50512-3-O | Cavia Porcellus (cluster #3 Of 7), Other | Other | 9200 | 0.39 | Functional ≤ 10μM |
| Z50597-3-O | Rattus Norvegicus (cluster #3 Of 12), Other | Other | 800 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IRK11_HUMAN | Q14654 | Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Human | 320 | 0.51 | Binding ≤ 1μM |
| ABCC9_HUMAN | O60706 | Sulfonylurea Receptor 2, Human | 320 | 0.51 | Binding ≤ 1μM |
| IRK11_HUMAN | Q14654 | Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Human | 320 | 0.51 | Binding ≤ 10μM |
| ABCC9_HUMAN | O60706 | Sulfonylurea Receptor 2, Human | 320 | 0.51 | Binding ≤ 10μM |
| Z102306 | Z102306 | Aorta | 350 | 0.50 | Functional ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 3630 | 0.42 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 1500 | 0.45 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ABC-family proteins mediated transport | |
| ATP sensitive Potassium channels | |
| Regulation of insulin secretion |
No pre-computed analogs available. Try a structural similarity search.