In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2010 | 28 | No |
Popular Name: (5R)-5-tert-butyl-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide (5R)-5-tert-butyl-2-[(2-nitroben…
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) | 4.00 | 8.16 | -20.56 | 3 | 7 | 0 | 118 | 401.488 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PDE4B-1-E | Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1259 | 0.29 | Binding ≤ 10μM |
PDE4D-1-E | Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6310 | 0.26 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 1258.92541 | 0.30 | Binding ≤ 10μM |
PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 6309.57344 | 0.26 | Binding ≤ 10μM |
Description | Species |
---|---|
DARPP-32 events | |
G alpha (s) signalling events |