| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 28 | Yes |
Popular Name: 6-Fluoro-2-(2'-fluoro-[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylic acid 6-Fluoro-2-(2'-fluoro-[1,1'-biph…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 96187-53-0 , 96201-88-6 , [96187-53-0]
4-Quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro(1,1'-biphenyl)-4-yl)-3-methyl-
4-Quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro(1,1'-biphenyl)-4-yl)-3-methyl-, sodium salt
4-Quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro- [1,1'-biphenyl]-4-yl)-3-methyl-, sodium salt
4-Quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methyl-
6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methyl-4-quinolinecarboxylic acid
6-Fluoro-2-(2'-Fluoro-1,1'-Biphenyl-4-Yl)-3-Methylquinoline-4-Carboxylic Acid
6-Fluoro-2-(2'-fluoro-[1,1'-biphenyl]-4-yl)-3-methyl-4-quinolinecarboxylic acid, (*Sodium sal*)
6-Fluoro-2-(2'-fluoro-[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylicacid
6-fluoro-2-(2'-fluorobiphenyl-4-yl)-3-methyl quinoline-4-carboxylic acid
6-Fluoro-2-(2'-fluorobiphenyl-4-yl)-3-methylquinoline-4-carboxylic acid
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid
96201-88-6 (hydrochloride salt)
96201-88-6; Brequinar sodium (USAN); D03154
| 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) | 5.09 | 2.22 | -55.88 | 0 | 3 | -1 | 53 | 374.366 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | 3.01 | -97.1 | 9 | 10 | 2 | 162 | 509.586 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.39e-04 g/l | DrugBank-experimental |
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PYRD-1-E | Dihydroorotate Dehydrogenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.40 | Binding ≤ 10μM |
| PYRD-1-E | Dihydroorotate Dehydrogenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 12 | 0.40 | Binding ≤ 10μM |
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 3900 | 0.27 | Functional ≤ 10μM |
| Z50597-8-O | Rattus Norvegicus (cluster #8 Of 12), Other | Other | 1600 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PYRD_HUMAN | Q02127 | Dihydroorotate Dehydrogenase, Human | 12 | 0.40 | Binding ≤ 1μM |
| PYRD_HUMAN | Q02127 | Dihydroorotate Dehydrogenase, Human | 12 | 0.40 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 3900 | 0.27 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 1600 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Pyrimidine biosynthesis |
No pre-computed analogs available. Try a structural similarity search.