| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 21st, 2009 | 34 | Yes |
Popular Name: Tipifarnib Tipifarnib
Find On: PubMed — Wikipedia — Google
CAS Numbers: 192185-72-1 , [192185-72-1]
| 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) | 5.09 | 13.62 | -14.28 | 2 | 5 | 0 | 66 | 489.406 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.09 | 14.08 | -48.31 | 3 | 5 | 1 | 67 | 490.414 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.09 | 14.29 | -131.87 | 4 | 5 | 2 | 69 | 491.422 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Farnesyltransferase, Ras | Selleck Chemicals |
| PUBCHEM_PATENT_ID | WO2000001411A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FNTA-1-E | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8 | 0.33 | Binding ≤ 10μM |
| FNTB-1-E | Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic | Eukaryotes | 75 | 0.29 | Binding ≤ 10μM |
| PGTB1-1-E | Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1100 | 0.25 | Binding ≤ 10μM |
| Q5EI73-1-E | Protein Farnesyltransferase Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 17 | 0.32 | Binding ≤ 10μM |
| Q5EI74-1-E | Protein Farnesyltransferase Beta Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 17 | 0.32 | Binding ≤ 10μM |
| FNTA-1-E | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 100 | 0.29 | Functional ≤ 10μM |
| FNTB-1-E | Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 100 | 0.29 | Functional ≤ 10μM |
| CP3A4-2-E | Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 4060 | 0.22 | ADME/T ≤ 10μM |
| Z50466-2-O | Trypanosoma Cruzi (cluster #2 Of 8), Other | Other | 4 | 0.35 | Functional ≤ 10μM |
| Z80951-1-O | NIH3T3 (Fibroblasts) (cluster #1 Of 4), Other | Other | 2 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q5EI73_PLAFA | Q5EI73 | Protein Farnesyltransferase Alpha Subunit, Plafa | 17 | 0.32 | Binding ≤ 1μM |
| FNTB_HUMAN | P49356 | Protein Farnesyltransferase Beta Subunit, Human | 0.8 | 0.37 | Binding ≤ 1μM |
| FNTB_BOVIN | P49355 | Protein Farnesyltransferase Beta Subunit, Bovin | 0.57 | 0.38 | Binding ≤ 1μM |
| Q5EI74_PLAFA | Q5EI74 | Protein Farnesyltransferase Beta Subunit, Plafa | 17 | 0.32 | Binding ≤ 1μM |
| FNTA_RAT | Q04631 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat | 0.65 | 0.38 | Binding ≤ 1μM |
| FNTA_HUMAN | P49354 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human | 0.8 | 0.37 | Binding ≤ 1μM |
| FNTA_BOVIN | P29702 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Bovin | 0.57 | 0.38 | Binding ≤ 1μM |
| PGTB1_BOVIN | Q5EAD5 | Geranylgeranyl Transferase Type I Beta Subunit, Bovin | 1100 | 0.25 | Binding ≤ 10μM |
| PGTB1_HUMAN | P53609 | Geranylgeranyl Transferase Type I Beta Subunit, Human | 10000 | 0.21 | Binding ≤ 10μM |
| Q5EI73_PLAFA | Q5EI73 | Protein Farnesyltransferase Alpha Subunit, Plafa | 17 | 0.32 | Binding ≤ 10μM |
| FNTB_BOVIN | P49355 | Protein Farnesyltransferase Beta Subunit, Bovin | 0.57 | 0.38 | Binding ≤ 10μM |
| Q5EI74_PLAFA | Q5EI74 | Protein Farnesyltransferase Beta Subunit, Plafa | 17 | 0.32 | Binding ≤ 10μM |
| FNTB_HUMAN | P49356 | Protein Farnesyltransferase Beta Subunit, Human | 0.8 | 0.37 | Binding ≤ 10μM |
| FNTA_HUMAN | P49354 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human | 0.8 | 0.37 | Binding ≤ 10μM |
| FNTA_BOVIN | P29702 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Bovin | 0.57 | 0.38 | Binding ≤ 10μM |
| FNTA_RAT | Q04631 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat | 0.65 | 0.38 | Binding ≤ 10μM |
| Z80951 | Z80951 | NIH3T3 (Fibroblasts) | 1.6 | 0.36 | Functional ≤ 10μM |
| FNTB_MOUSE | Q8K2I1 | Protein Farnesyltransferase Beta Subunit, Mouse | 1.6 | 0.36 | Functional ≤ 10μM |
| FNTA_MOUSE | Q61239 | Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Mouse | 1.6 | 0.36 | Functional ≤ 10μM |
| Z50466 | Z50466 | Trypanosoma Cruzi | 4 | 0.35 | Functional ≤ 10μM |
| CP3A4_HUMAN | P08684 | Cytochrome P450 3A4, Human | 1700 | 0.24 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Aflatoxin activation and detoxification | |
| Apoptotic cleavage of cellular proteins | |
| Inactivation, recovery and regulation of the phototransduction cascade | |
| Xenobiotics |
