| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2008 | 35 | Yes |
Popular Name: Pralatrexate Pralatrexate
Find On: PubMed — Wikipedia — Google
CAS Number: 146464-95-1
| 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) | -0.79 | -5.3 | -123.31 | 5 | 12 | -2 | 213 | 475.465 | 10 | ↓ |
| Mid Mid (pH 6-8) | -0.79 | -5.07 | -113.12 | 6 | 12 | -1 | 214 | 476.473 | 10 | ↓ |
| Mid Mid (pH 6-8) | -0.79 | -5.09 | -112.19 | 6 | 12 | -1 | 214 | 476.473 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DYR-1-E | Dihydrofolate Reductase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 450 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DYR_MOUSE | P00375 | Dihydrofolate Reductase, Mouse | 0.1 | 0.40 | Binding ≤ 1μM |
| DYR_MOUSE | P00375 | Dihydrofolate Reductase, Mouse | 0.1 | 0.40 | Binding ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 2 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| E2F mediated regulation of DNA replication | |
| G1/S-Specific Transcription | |
| Metabolism of folate and pterines | |
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation |
