In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2010 | 24 | Yes |
Popular Name: Lysergic Acid Diethylamide Lysergic Acid Diethylamide
Find On: PubMed — Wikipedia — Google
CAS Number: 50-37-3
(+)-lysergic acid diethylamide
50-37-3; C07542; LSD; Lysergic acid diethylamide; Lysergide
9,10-Didehydro-N,N-diethyl-6-methylergoline-8b-carboxamide
D-lysergic acid n,n-diethylamide
Dextrolysergic acid diethylamide
Diethylamid kyseliny lysergove
Diethylamid kyseliny lysergove [czech]
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) | 2.33 | 9.56 | -39.99 | 1 | 4 | 1 | 37 | 324.448 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.33 | 7.36 | -11.18 | 0 | 4 | 0 | 36 | 323.44 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.33 | 10.01 | -90.93 | 2 | 4 | 2 | 39 | 325.456 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 2.70e-01 g/l | DrugBank-withdrawn |
PUBCHEM_PATENT_ID | EP0816364A1 | IBM Patent Data |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 21 | 0.45 | Binding ≤ 10μM |
5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 53 | 0.42 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 21.17 | 0.45 | Binding ≤ 1μM |
5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 52.84 | 0.42 | Binding ≤ 1μM |
5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 21.17 | 0.45 | Binding ≤ 10μM |
5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 52.84 | 0.42 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (q) signalling events | |
Serotonin receptors |
No pre-computed analogs available. Try a structural similarity search.