| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2005 | 28 | Yes |
253450-09-8; Besonprodil (USAN); D03100
6-({2-[4- -1,3-BENZOXAZOL-2 -ONE
6-({2-[4-(4-FLUOROBENZYL)PIPERIDIN-1-YL]ETHYL}SULFINYL)-1,3-BENZOXAZOL-2(3H)-ONE
| 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) | 2.76 | -1.59 | -59.29 | 2 | 5 | 1 | 67 | 403.499 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GRINA-1-E | Glutamate [NMDA] Receptor Associated Protein 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.42 | Binding ≤ 10μM |
| NMD3A-4-E | Glutamate [NMDA] Receptor Subunit 3A (cluster #4 Of 6), Eukaryotic | Eukaryotes | 4 | 0.42 | Binding ≤ 10μM |
| NMD3B-4-E | Glutamate [NMDA] Receptor Subunit 3B (cluster #4 Of 6), Eukaryotic | Eukaryotes | 4 | 0.42 | Binding ≤ 10μM |
| NMDE1-2-E | Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 4 | 0.42 | Binding ≤ 10μM |
| NMDE2-1-E | Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 4 | 0.42 | Binding ≤ 10μM |
| NMDE3-1-E | Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 4 | 0.42 | Binding ≤ 10μM |
| NMDE4-4-E | Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #4 Of 6), Eukaryotic | Eukaryotes | 4 | 0.42 | Binding ≤ 10μM |
| NMDZ1-2-E | Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 4 | 0.42 | Binding ≤ 10μM |
| NMDE2-1-E | Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7 | 0.41 | Functional ≤ 10μM |
| Z104297-2-O | Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #2 Of 3), Other | Other | 8 | 0.40 | Binding ≤ 10μM |
| Z104297-1-O | Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #1 Of 1), Other | Other | 8 | 0.40 | Functional ≤ 10μM |
| Z104302-1-O | Glutamate NMDA Receptor (cluster #1 Of 3), Other | Other | 7 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMDZ1_HUMAN | Q05586 | Glutamate (NMDA) Receptor Subunit Zeta 1, Human | 4 | 0.42 | Binding ≤ 1μM |
| Z104297 | Z104297 | Glutamate NMDA Receptor; GRIN1/GRIN2B | 8 | 0.40 | Binding ≤ 1μM |
| GRINA_HUMAN | Q7Z429 | Glutamate [NMDA] Receptor Associated Protein 1, Human | 4 | 0.42 | Binding ≤ 1μM |
| NMD3A_HUMAN | Q8TCU5 | Glutamate [NMDA] Receptor Subunit 3A, Human | 4 | 0.42 | Binding ≤ 1μM |
| NMD3B_HUMAN | O60391 | Glutamate [NMDA] Receptor Subunit 3B, Human | 4 | 0.42 | Binding ≤ 1μM |
| NMDE1_HUMAN | Q12879 | Glutamate [NMDA] Receptor Subunit Epsilon 1, Human | 4 | 0.42 | Binding ≤ 1μM |
| NMDE2_RAT | Q00960 | Glutamate [NMDA] Receptor Subunit Epsilon 2, Rat | 4 | 0.42 | Binding ≤ 1μM |
| NMDE2_HUMAN | Q13224 | Glutamate [NMDA] Receptor Subunit Epsilon 2, Human | 4 | 0.42 | Binding ≤ 1μM |
| NMDE3_HUMAN | Q14957 | Glutamate [NMDA] Receptor Subunit Epsilon 3, Human | 4 | 0.42 | Binding ≤ 1μM |
| NMDE4_HUMAN | O15399 | Glutamate [NMDA] Receptor Subunit Epsilon 4, Human | 4 | 0.42 | Binding ≤ 1μM |
| NMDZ1_HUMAN | Q05586 | Glutamate (NMDA) Receptor Subunit Zeta 1, Human | 4 | 0.42 | Binding ≤ 10μM |
| Z104297 | Z104297 | Glutamate NMDA Receptor; GRIN1/GRIN2B | 8 | 0.40 | Binding ≤ 10μM |
| GRINA_HUMAN | Q7Z429 | Glutamate [NMDA] Receptor Associated Protein 1, Human | 4 | 0.42 | Binding ≤ 10μM |
| NMD3A_HUMAN | Q8TCU5 | Glutamate [NMDA] Receptor Subunit 3A, Human | 4 | 0.42 | Binding ≤ 10μM |
| NMD3B_HUMAN | O60391 | Glutamate [NMDA] Receptor Subunit 3B, Human | 4 | 0.42 | Binding ≤ 10μM |
| NMDE1_HUMAN | Q12879 | Glutamate [NMDA] Receptor Subunit Epsilon 1, Human | 4 | 0.42 | Binding ≤ 10μM |
| NMDE2_RAT | Q00960 | Glutamate [NMDA] Receptor Subunit Epsilon 2, Rat | 4 | 0.42 | Binding ≤ 10μM |
| NMDE2_HUMAN | Q13224 | Glutamate [NMDA] Receptor Subunit Epsilon 2, Human | 4 | 0.42 | Binding ≤ 10μM |
| NMDE3_HUMAN | Q14957 | Glutamate [NMDA] Receptor Subunit Epsilon 3, Human | 4 | 0.42 | Binding ≤ 10μM |
| NMDE4_HUMAN | O15399 | Glutamate [NMDA] Receptor Subunit Epsilon 4, Human | 4 | 0.42 | Binding ≤ 10μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 6.6 | 0.41 | Functional ≤ 10μM |
| Z104297 | Z104297 | Glutamate NMDA Receptor; GRIN1/GRIN2B | 8 | 0.40 | Functional ≤ 10μM |
| NMDE2_RAT | Q00960 | Glutamate [NMDA] Receptor Subunit Epsilon 2, Rat | 6.6 | 0.41 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| CREB phosphorylation through the activation of CaMKII | |
| EPHB-mediated forward signaling | |
| Ras activation uopn Ca2+ infux through NMDA receptor | |
| Unblocking of NMDA receptor, glutamate binding and activation |
