| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 30 | Yes |
Popular Name: (R)-4-((Diethylamino)methyl)-N-(2-methoxyphenethyl)-N-(pyrrolidin-3-yl)benzamide (R)-4-((Diethylamino)methyl)-N-(…
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CAS Numbers: 947303-87-9 , [947303-87-9]
| 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) | 3.18 | 11.57 | -82.46 | 3 | 5 | 2 | 51 | 411.59 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MBTP1-1-E | Membrane-bound Transcription Factor Site-1 Protease (cluster #1 Of 1), Eukaryotic | Eukaryotes | 170 | 0.32 | Binding ≤ 10μM |
| MBTP1-1-E | Membrane-bound Transcription Factor Site-1 Protease (cluster #1 Of 1), Eukaryotic | Eukaryotes | 540 | 0.29 | Binding ≤ 10μM |
| Z102280-1-O | Liver (cluster #1 Of 1), Other | Other | 300 | 0.30 | Functional ≤ 10μM |
| Z102342-1-O | Liver (cluster #1 Of 1), Other | Other | 600 | 0.29 | Functional ≤ 10μM |
| Z81020-3-O | HepG2 (Hepatoblastoma Cells) (cluster #3 Of 8), Other | Other | 600 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MBTP1_HUMAN | Q14703 | Membrane-bound Transcription Factor Site-1 Protease, Human | 540 | 0.29 | Binding ≤ 1μM |
| MBTP1_HUMAN | Q14703 | Membrane-bound Transcription Factor Site-1 Protease, Human | 540 | 0.29 | Binding ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 600 | 0.29 | Functional ≤ 10μM |
| Z102342 | Z102342 | Liver | 600 | 0.29 | Functional ≤ 10μM |
| Z102280 | Z102280 | Liver | 2000 | 0.27 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ATF6-alpha activates chaperones | |
| Regulation of cholesterol biosynthesis by SREBP (SREBF) |
No pre-computed analogs available. Try a structural similarity search.