| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 29 | No |
Popular Name: CYPROTERONE ACETATE CYPROTERONE ACETATE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2098-66-0 , 427-51-0 , [427-51-0]
427-51-0; Cyproterone acetate (JAN/USAN); D01368
CHEBI:336019; CHEBI:47297; CHEBI:31451
| 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) | 4.44 | 12.38 | -17.52 | 0 | 4 | 0 | 60 | 416.945 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | APIChem |
| Target | Androgen Receptor/P450 | Selleck Chemicals |
| Patent Database Links | EP1262177; EP1506775; EP1535618; EP1550447; EP1862167; EP1988098; US2001020038; US2005009845; US2005101646; US2005124621; US2005159420; US2005192310; US2005197339; US2005222153; US2006014745; US2006058304; US2006079518; US2006135576; US2006135619; US20062 | ChEBI |
| Indications | prostate cancer | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-1-E | Adenosine A1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 5 | 0.40 | Binding ≤ 10μM |
| AA2AR-4-E | Adenosine A2a Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 636 | 0.30 | Binding ≤ 10μM |
| AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 636 | 0.30 | Binding ≤ 10μM |
| ANDR-2-E | Androgen Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 14 | 0.38 | Binding ≤ 10μM |
| ANDR-2-E | Androgen Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 23 | 0.37 | Functional ≤ 10μM |
| Z50425-4-O | Plasmodium Falciparum (cluster #4 Of 22), Other | Other | 7943 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 0.76 | 0.44 | Binding ≤ 1μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 336 | 0.31 | Binding ≤ 1μM |
| AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 336 | 0.31 | Binding ≤ 1μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 14 | 0.38 | Binding ≤ 1μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 0.76 | 0.44 | Binding ≤ 10μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 336 | 0.31 | Binding ≤ 10μM |
| AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 336 | 0.31 | Binding ≤ 10μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 14 | 0.38 | Binding ≤ 10μM |
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 23 | 0.37 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 7943.28235 | 0.25 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| NGF-independant TRKA activation | |
| Nuclear Receptor transcription pathway |
