In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2005 | 19 | Yes |
Popular Name: 4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol 4-(2-(Dimethylamino)-1-(1-hydrox…
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CAS Numbers: 1062605-69-9 , 142761-11-3 , 142761-12-4 , 300827-87-6 , 386750-22-7 , 93413-62-8 , [386750-22-7] , [93413-62-8]
4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)-ethyl)phenol
93413-62-8; D07793; Desvenlafaxine (INN)
Desvenlafaxine Succinate (USAN
Desvenlafaxine succinate monohydrate
DesvenlafaxinesuccinateMonohydrate
DIMETHYLAMINOHYDROXYCYCLOHEXYLETHYLPHENO
INN); Desvenlafaxine Succinate (FDA
O-Desmethylvenlafaxine succinate
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 | -0.56 | -36.83 | 3 | 3 | 1 | 44 | 264.389 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.92 | 10.74 | -32.2 | 1 | 4 | 1 | 46 | 391.516 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 1.40e+00 g/l | DrugBank-approved |
Target | 5-HT Receptor | Selleck Chemicals |
Purity | 95% | Fluorochem |
Purity | 95+% | Matrix Scientific |
Indications | antidepressant | KeyOrganics Bioactives |
Warnings | IRRITANT | Matrix Scientific |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ADA1A-3-E | Alpha-1a Adrenergic Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 60 | 0.53 | Binding ≤ 10μM |
Q9WTR4-1-E | Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1160 | 0.44 | Functional ≤ 10μM |
SC6A4-1-E | Serotonin Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 180 | 0.50 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ADA1A_RAT | P43140 | Alpha-1a Adrenergic Receptor, Rat | 60 | 0.53 | Binding ≤ 1μM |
ADA1A_RAT | P43140 | Alpha-1a Adrenergic Receptor, Rat | 60 | 0.53 | Binding ≤ 10μM |
Q9WTR4_RAT | Q9WTR4 | Norepinephrine Transporter, Rat | 1160 | 0.44 | Functional ≤ 10μM |
SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 180 | 0.50 | Functional ≤ 10μM |
Description | Species |
---|---|
Adrenoceptors | |
G alpha (12/13) signalling events | |
G alpha (q) signalling events |