| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 21 | Yes |
Popular Name: 6-(3-Chloro-4-fluorophenyl)-4,4-dimethyl-1h-benzo[d][1,3]oxazin-2(4h)-one 6-(3-Chloro-4-fluorophenyl)-4,4-…
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CAS Number: 304854-45-3
| 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) | 4.78 | 7.64 | -11.59 | 1 | 3 | 0 | 38 | 305.736 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR-1-E | Androgen Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 207 | 0.45 | Functional ≤ 10μM |
| GCR-1-E | Glucocorticoid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2581 | 0.37 | Functional ≤ 10μM |
| MCR-1-E | Mineralocorticoid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2492 | 0.37 | Functional ≤ 10μM |
| PRGR-1-E | Progesterone Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 37 | 0.50 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ANDR_HUMAN | P10275 | Androgen Receptor, Human | 207 | 0.45 | Functional ≤ 10μM |
| GCR_HUMAN | P04150 | Glucocorticoid Receptor, Human | 2581 | 0.37 | Functional ≤ 10μM |
| MCR_HUMAN | P08235 | Mineralocorticoid Receptor, Human | 2492 | 0.37 | Functional ≤ 10μM |
| PRGR_HUMAN | P06401 | Progesterone Receptor, Human | 23 | 0.51 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| BMAL1:CLOCK,NPAS2 activates circadian gene expression | |
| Nuclear Receptor transcription pathway | |
| Nuclear signaling by ERBB4 |
No pre-computed analogs available. Try a structural similarity search.