In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2005 | 20 | No |
Popular Name: Hydroxyflutamide Hydroxyflutamide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 52806-53-8 , [52806-53-8]
2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide
2-Hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
52806-53-8; C14204; Hydroxyflutamide
alpha, alpha, alpha-trifluoro-2-methyl-4'-nitro-m-lactotoluidide
alpha,alpha,alpha-Trifluoro-2-methyl-4'-nitro-m-lactotoluidide
Propanamide, 2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)-
Propanamide,2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-
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) | 2.08 | 3.1 | -9.74 | 2 | 6 | 0 | 95 | 292.213 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.39 | 9.26 | -58.21 | 6 | 8 | 1 | 129 | 493.591 | 6 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ANDR-4-E | Androgen Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 2100 | 0.40 | Binding ≤ 10μM |
ANDR-3-E | Androgen Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 52 | 0.51 | Functional ≤ 10μM |
PRGR-1-E | Progesterone Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2013 | 0.40 | Functional ≤ 10μM |
Z80243-1-O | MDA-MB-453 (Breast Adenocarcinoma Cells) (cluster #1 Of 1), Other | Other | 26 | 0.53 | Functional ≤ 10μM |
Z80453-2-O | SC-3 (cluster #2 Of 2), Other | Other | 52 | 0.51 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ANDR_HUMAN | P10275 | Androgen Receptor, Human | 2 | 0.61 | Binding ≤ 1μM |
ANDR_RAT | P15207 | Androgen Receptor, Rat | 2100 | 0.40 | Binding ≤ 10μM |
ANDR_HUMAN | P10275 | Androgen Receptor, Human | 2 | 0.61 | Binding ≤ 10μM |
ANDR_MOUSE | P19091 | Androgen Receptor, Mouse | 52 | 0.51 | Functional ≤ 10μM |
ANDR_HUMAN | P10275 | Androgen Receptor, Human | 15 | 0.55 | Functional ≤ 10μM |
Z80243 | Z80243 | MDA-MB-453 (Breast Adenocarcinoma Cells) | 26 | 0.53 | Functional ≤ 10μM |
PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 2013 | 0.40 | Functional ≤ 10μM |
Z80453 | Z80453 | SC-3 | 52 | 0.51 | Functional ≤ 10μM |
Description | Species |
---|---|
Nuclear Receptor transcription pathway | |
Nuclear signaling by ERBB4 |