In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2009 | 15 | Yes |
Popular Name: 1-(4-Chloro-2,5-dimethoxyphenyl)propan-2-amine 1-(4-Chloro-2,5-dimethoxyphenyl)…
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CAS Numbers: 123431-31-2 , 42203-77-0
1-(4-Chloro-2,5-dimethoxyphenyl)-2-aminopropane hydrochloride
1-(4-Chloro-2,5-dimethoxyphenyl)propan-2-amine hydrochloride
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) | 1.97 | 3.18 | -46.93 | 3 | 3 | 1 | 46 | 230.715 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT2A-2-E | Serotonin 2a (5-HT2a) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 218 | 0.62 | Binding ≤ 10μM |
5HT2B-3-E | Serotonin 2b (5-HT2b) Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 218 | 0.62 | Binding ≤ 10μM |
5HT2C-3-E | Serotonin 2c (5-HT2c) Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 218 | 0.62 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 218 | 0.62 | Binding ≤ 1μM |
5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 218 | 0.62 | Binding ≤ 1μM |
5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 218 | 0.62 | Binding ≤ 1μM |
5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 218 | 0.62 | Binding ≤ 10μM |
5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 218 | 0.62 | Binding ≤ 10μM |
5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 218 | 0.62 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (q) signalling events | |
Serotonin receptors |
No pre-computed analogs available. Try a structural similarity search.