In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 30 | Yes |
Popular Name: 7-fluoro-N-[1-[(4-methoxyphenyl)methyl]-4-piperidyl]-4-oxo-chromene-2-carboxamide 7-fluoro-N-[1-[(4-methoxyphenyl)…
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) | 3.27 | 9.31 | -50.34 | 2 | 6 | 1 | 73 | 411.453 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
KCNH2-1-E | HERG (cluster #1 Of 5), Eukaryotic | Eukaryotes | 5 | 0.39 | Binding ≤ 10μM |
MCHR1-1-E | Melanin-concentrating Hormone Receptor 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 13 | 0.37 | Binding ≤ 10μM |
MCHR1-1-E | Melanin-concentrating Hormone Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 101 | 0.33 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
KCNH2_HUMAN | Q12809 | HERG, Human | 5.4 | 0.39 | Binding ≤ 1μM |
MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 13 | 0.37 | Binding ≤ 1μM |
KCNH2_HUMAN | Q12809 | HERG, Human | 5.4 | 0.39 | Binding ≤ 10μM |
MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 13 | 0.37 | Binding ≤ 10μM |
MCHR1_HUMAN | Q99705 | Melanin-concentrating Hormone Receptor 1, Human | 101 | 0.33 | Functional ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G alpha (q) signalling events | |
Peptide ligand-binding receptors | |
Voltage gated Potassium channels |
No pre-computed analogs available. Try a structural similarity search.