| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 12 | Yes |
Popular Name: 5-Bromo-1,6-naphthyridin-2(1H)-one 5-Bromo-1,6-naphthyridin-2(1H)-one
Find On: PubMed — Wikipedia — Google
CAS Number: 105276-96-8
| 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) | 1.30 | 2.18 | -8.42 | 1 | 3 | 0 | 46 | 225.045 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.30 | 2.46 | -39.44 | 2 | 3 | 1 | 47 | 226.053 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| E1BN64-2-E | Phosphodiesterase 3B (cluster #2 Of 2), Eukaryotic | Eukaryotes | 170 | 0.79 | Binding ≤ 10μM |
| PDE3A-2-E | Phosphodiesterase 3A (cluster #2 Of 2), Eukaryotic | Eukaryotes | 170 | 0.79 | Binding ≤ 10μM |
| PDE3B-2-E | Phosphodiesterase 3B (cluster #2 Of 2), Eukaryotic | Eukaryotes | 170 | 0.79 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE3A_HUMAN | Q14432 | Phosphodiesterase 3A, Human | 170 | 0.79 | Binding ≤ 1μM |
| PDE3B_HUMAN | Q13370 | Phosphodiesterase 3B, Human | 170 | 0.79 | Binding ≤ 1μM |
| E1BN64_BOVIN | E1BN64 | Phosphodiesterase 3B, Bovin | 170 | 0.79 | Binding ≤ 1μM |
| PDE3A_HUMAN | Q14432 | Phosphodiesterase 3A, Human | 170 | 0.79 | Binding ≤ 10μM |
| E1BN64_BOVIN | E1BN64 | Phosphodiesterase 3B, Bovin | 170 | 0.79 | Binding ≤ 10μM |
| PDE3B_HUMAN | Q13370 | Phosphodiesterase 3B, Human | 170 | 0.79 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| cGMP effects | |
| G alpha (s) signalling events | |
| PDE3B signalling |
No pre-computed analogs available. Try a structural similarity search.