| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2008 | 15 | No |
Popular Name: Phenformin Hydrochloride Phenformin Hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 114-86-3 , 834-28-6 , [114-86-3] , [834-28-6]
1-(Diaminomethylene)-2-(2-phenylethyl)guanidine hydrochloride
1-(diaminomethylidene)-2-phenethylguanidine
1-carbamimidamido-N-(2-phenylethyl)methanimidamide
114-86-3; C07673; DBI; Phenformin
4-12-00-02472 (Beilstein Handbook Reference)
834-28-6; D08352; Debei (TN); Phenformin hydrochloride
834-28-6; Phenformin hydrochloride; Prestwick_615
fenformina; phenformin; phenformine; phenforminum
Imidodicarbonimidic diamide, N-(2-phenylethyl)-
imidodicarbonimidic diamide, N-(2-phenylethyl)-, hydrochloride
imidodicarbonimidic diamide, N-(2-phenylethyl)-, monohydrochloride
INN); Phenformin Hydrochloride (MI
N'-beta-Fenetilformamidiniliminourea
N'-beta-Fenetilformamidiniliminourea [Italian]
N'-beta-Phenethylformamidinylliminourea
N-(2-phenylethyl)imidodicarbonimidic diamide
N-(2-phenylethyl)imidodicarbonimidic diamide hydrochloride
N-Phenethylbiguanide Hydrochloride
Phenethylbiguanide Hydrochloride
| 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) | 0.43 | 5.93 | -7.01 | 7 | 5 | 0 | 100 | 206.273 | 6 | ↓ |
| Ref Reference (pH 7) | 0.17 | 4.94 | -28.01 | 7 | 5 | 1 | 104 | 206.273 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.43 | 5.35 | -6.17 | 6 | 5 | 0 | 98 | 205.265 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.43 | 6.29 | -7.03 | 6 | 5 | 0 | 98 | 205.265 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.30 | 6.08 | -4.26 | 8 | 5 | 0 | 104 | 207.281 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.30 | 5.8 | -34.82 | 7 | 5 | 1 | 102 | 206.273 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.30 | 6.26 | -30.68 | 7 | 5 | 1 | 102 | 206.273 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.43 | 6.17 | -30.9 | 7 | 5 | 1 | 100 | 206.273 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.32e-01 g/l | DrugBank-withdrawn |
| Purity | 95% | Fluorochem |
| UniProt Database Links | ACBD5_BOVIN; ACBP1_CAEEL; ACBP_ANAPL; ACBP_BOVIN; ACBP_CANFA; ACBP_CHICK; ACBP_DROME; ACBP_HUMAN; ACBP_MANSE; ACBP_MOUSE; ACBP_PELRI; ACBP_PIG; ACBP_RABIT; ACBP_RAT; ECI2_HUMAN; INT6_HUMAN; INT6_MOUSE; TPS5_ARATH | ChEBI |
| Target | AMPK | Selleck Chemicals |
| Therapy | antidiabetic | SMDC Pharmakon |
| biological_use | Antidiabetic agent | IBScreen Bioactives |
| mechanism | Reducing hepatic gluconeogenesis | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-9-O | Plasmodium Falciparum (cluster #9 Of 22), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 0.1 | 0.93 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.