| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 7th, 2010 | 32 | Yes |
Popular Name: 2-((4-Methoxyphenyl)amino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide 2-((4-Methoxyphenyl)amino)-1-(2-…
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CAS Number: 1092829-79-2
| 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) | 5.10 | 11.08 | -15.64 | 3 | 6 | 0 | 82 | 440.425 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 5.10 | 11.25 | -33.71 | 4 | 6 | 1 | 83 | 441.433 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KIF11-1-E | Kinesin-like Protein 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2500 | 0.25 | Binding ≤ 10μM |
| CP2C9-1-E | Cytochrome P450 2C9 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8000 | 0.22 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KIF11_HUMAN | P52732 | Kinesin-like Protein 1, Human | 2500 | 0.25 | Binding ≤ 10μM |
| CP2C9_HUMAN | P11712 | Cytochrome P450 2C9, Human | 8000 | 0.22 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| CYP2E1 reactions | |
| Kinesins | |
| MHC class II antigen presentation | |
| Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) | |
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) | |
| Xenobiotics |
No pre-computed analogs available. Try a structural similarity search.