| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 25 | Yes |
Popular Name: 1-(2-Hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-one 1-(2-Hydroxy-5-(trifluoromethyl)…
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CAS Numbers: 153587-01-0 , [153587-01-0]
1-(2-Hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-1H-benzo[d]imid azol-2(3H)-one
| 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) | 4.31 | 6.12 | -11.71 | 2 | 4 | 0 | 58 | 362.229 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.31 | 6.89 | -42.7 | 1 | 4 | -1 | 61 | 361.221 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HS90A-2-E | Heat Shock Protein HSP 90-alpha (cluster #2 Of 4), Eukaryotic | Eukaryotes | 3320 | 0.31 | Binding ≤ 10μM |
| KCMA1-1-E | Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5129 | 0.30 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 7943 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCMA1_RAT | Q62976 | Calcium-activated Potassium Channel Subunit Alpha-1, Rat | 4365.15832 | 0.30 | Binding ≤ 10μM |
| HS90A_HUMAN | P07900 | Heat Shock Protein HSP 90-alpha, Human | 3320 | 0.31 | Binding ≤ 10μM |
| KCMA1_HUMAN | Q12791 | Large Conductance Calcium-activated Potassium Channel Subfamily M Alpha Member 1 Isoform B, Human | 5888.43655 | 0.29 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 3981.07171 | 0.30 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Attenuation phase | |
| Ca2+ activated K+ channels | |
| cGMP effects | |
| eNOS activation | |
| EPHA-mediated growth cone collapse | |
| HSF1 activation | |
| HSF1-dependent transactivation | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Scavenging by Class F Receptors | |
| Sema3A PAK dependent Axon repulsion | |
| Signaling by constitutively active EGFR | |
| Signaling by ERBB2 | |
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated vascular permeability | |
| vRNP Assembly |
No pre-computed analogs available. Try a structural similarity search.