| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 31 | Yes |
Popular Name: N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-4-quinazolinamine N-[4-(trifluoromethyl)phenyl]-7-…
Find On: PubMed — Wikipedia — Google
CAS Number: 573678-04-3
| 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) | 6.02 | 12.27 | -11.71 | 1 | 4 | 0 | 51 | 434.343 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 275 | KeyOrganics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1-2-E | Vanilloid Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1 | 0.41 | Binding ≤ 10μM |
| TRPV1-1-E | Vanilloid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TRPV1_HUMAN | Q8NER1 | Vanilloid Receptor, Human | 1.1 | 0.40 | Binding ≤ 1μM |
| TRPV1_HUMAN | Q8NER1 | Vanilloid Receptor, Human | 1.1 | 0.40 | Binding ≤ 10μM |
| TRPV1_HUMAN | Q8NER1 | Vanilloid Receptor, Human | 0.8 | 0.41 | Functional ≤ 10μM |
| TRPV1_RAT | O35433 | Vanilloid Receptor, Rat | 1.4 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| TRP channels |
