| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 21 | Yes |
Popular Name: 3-(4,4-Dimethyl-2-oxo-2,4-dihydro-1h-benzo[d][1,3]oxazin-6-yl)benzonitrile 3-(4,4-Dimethyl-2-oxo-2,4-dihydr…
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CAS Number: 304853-36-9
| 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) | 3.74 | 7.46 | -14.01 | 1 | 4 | 0 | 62 | 278.311 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PRGR-2-E | Progesterone Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 18 | 0.52 | Binding ≤ 10μM |
| PRGR-1-E | Progesterone Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10 | 0.53 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 18 | 0.52 | Binding ≤ 1μM |
| PRGR_CHICK | P07812 | Progesterone Receptor, Chick | 18 | 0.52 | Binding ≤ 1μM |
| PRGR_CHICK | P07812 | Progesterone Receptor, Chick | 18 | 0.52 | Binding ≤ 10μM |
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 18 | 0.52 | Binding ≤ 10μM |
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 1000 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Nuclear Receptor transcription pathway | |
| Nuclear signaling by ERBB4 |
