| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2006 | 27 | Yes |
Popular Name: 5-chloro-3-methyl-2-(4-phenylphenyl)-quinoline-4-carboxylic 5-chloro-3-methyl-2-(4-phenylphe…
None
| 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) | 6.44 | 0.56 | -56.57 | 0 | 3 | -1 | 53 | 372.831 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0261426A1; EP0261426B1; EP0339484A1; EP0339484B1; EP0339485A1; EP0339485B1; EP0362578A1; EP0537191A1; EP0537191B1; EP0702726A1; US4680299; US4861783; US4889862; US4968701; US5032597; US5084462; US5204329; US5393891; US5707844; WO1997042953A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PYRD-1-E | Dihydroorotate Dehydrogenase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 25 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PYRD_HUMAN | Q02127 | Dihydroorotate Dehydrogenase, Human | 25 | 0.39 | Binding ≤ 1μM |
| PYRD_HUMAN | Q02127 | Dihydroorotate Dehydrogenase, Human | 25 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pyrimidine biosynthesis |
