| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 24 | Yes |
Popular Name: Ifenprodil Ifenprodil
Find On: PubMed — Wikipedia — Google
CAS Numbers: 23210-56-2 , 23210-58-4
23210-56-2; D08064; Ifenprodil (INN)
23210-58-4; Cerocral (TN); D01445; Ifenprodil tartrate (JP16)
23210-58-4; Ifenprodil tartrate; Prestwick_623
4-(2-(4-Benzylpiperidin-1-yl)-1-hydroxypropyl)phenol
4-[1-hydroxy-2-[4-(phenylmethyl)piperidin-1-yl]propyl]phenol
CPD000449296; Ifenprodil; SAM001246980
| 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) | 3.58 | 7.74 | -38.94 | 3 | 3 | 1 | 45 | 326.46 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 99% | Fluorochem |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 100657; .5 water; .5 tartaric acid | NIH Clinical Collection via PubChem |
| Target | NMDAR | Selleck Chemicals |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 100657; SALT: .5 water; .5 tartaric acid | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2-5-E | HERG (cluster #5 Of 5), Eukaryotic | Eukaryotes | 100 | 0.41 | Binding ≤ 10μM |
| KCNH2-5-E | HERG (cluster #5 Of 5), Eukaryotic | Eukaryotes | 1000 | 0.35 | Binding ≤ 10μM |
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 125 | 0.40 | Binding ≤ 10μM |
| NMDE3-2-E | Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 55 | 0.42 | Functional ≤ 10μM |
| Z104297-2-O | Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #2 Of 3), Other | Other | 10 | 0.47 | Binding ≤ 10μM |
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 843 | 0.35 | Binding ≤ 10μM |
| Z104297-1-O | Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #1 Of 1), Other | Other | 190 | 0.39 | Functional ≤ 10μM |
| Z104302-1-O | Glutamate NMDA Receptor (cluster #1 Of 3), Other | Other | 55 | 0.42 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3981 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 629 | 0.36 | Binding ≤ 1μM |
| Z104297 | Z104297 | Glutamate NMDA Receptor; GRIN1/GRIN2B | 10 | 0.47 | Binding ≤ 1μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 100 | 0.41 | Binding ≤ 1μM |
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 125 | 0.40 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 2306 | 0.33 | Binding ≤ 10μM |
| Z104297 | Z104297 | Glutamate NMDA Receptor; GRIN1/GRIN2B | 10 | 0.47 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 100 | 0.41 | Binding ≤ 10μM |
| SGMR1_CAVPO | Q60492 | Sigma-1 Receptor, Guinea Pig | 125 | 0.40 | Binding ≤ 10μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 13.3 | 0.46 | Functional ≤ 10μM |
| Z104297 | Z104297 | Glutamate NMDA Receptor; GRIN1/GRIN2B | 190 | 0.39 | Functional ≤ 10μM |
| NMDE3_RAT | Q00961 | Glutamate [NMDA] Receptor Subunit Epsilon 3, Rat | 55 | 0.42 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2511.88643 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| CREB phosphorylation through the activation of CaMKII | |
| Ras activation uopn Ca2+ infux through NMDA receptor | |
| Unblocking of NMDA receptor, glutamate binding and activation | |
| Voltage gated Potassium channels |
