In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2004 | 28 | Yes |
Popular Name: diethyl-[2-[2-(4-oxo-2-phenylchromen-8-yl)acetyl]oxyethyl]azaniumchloride diethyl-[2-[2-(4-oxo-2-phenylchr…
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CAS Number: 87626-56-0
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) | 4.51 | 4.19 | -50.95 | 1 | 5 | 1 | 60 | 380.464 | 9 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CP2D6-1-E | Cytochrome P450 2D6 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8700 | 0.25 | ADME/T ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
CP2D6_HUMAN | P10635 | Cytochrome P450 2D6, Human | 8700 | 0.25 | ADME/T ≤ 10μM |
Description | Species |
---|---|
CYP2E1 reactions | |
Fatty acids | |
Miscellaneous substrates | |
Xenobiotics |
No pre-computed analogs available. Try a structural similarity search.