Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| October 5th, 2005 |
14 |
Yes
|
Other Names:
(2-Indol-3-ylethyl)dimethylamine;(psychogenic);2-(1H-Indol-3-yl)-N,N-dimethylethanamine;2-(1H-Indol-3-yl)-N,N-dimethylethanamine (ACD/Name 4.0);2-(3-Indolyl)ethyldimethylamine;3-(2-(Dimethylamino)ethyl)-Indole;3-(2-Dimethylaminoethyl)indole;3-[2- (Dimethy
2-(1H-indol-3-yl)-N,N-dimethylethanamine
2-(3-indolyl)ethyldimethylamine; 3-(2-dimethylaminoethyl)indole; 3-[2-(dimethylamino)ethyl]indole; DMT; N,N-dimethyl-1H-indole-3-ethylamine
3-(2-(Dimethylamino)ethyl)indole sulfosalicylate; Indole, 3-(2-(dimethylamino)ethyl)-, sulfosalicylate; LS-82949; N,N-Dimethyl-beta-3-indolylethylamine sulfosalicylate
3-(2-Dimethylaminoethyl) indole
61-50-7; C08302; DMT; N,N-Dimethyltryptamine
CHEBI:7078; CHEBI:21456
DNC013655
N,N-dimethyltryptamine
N,N-Dimethyltryptamine, free base
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SMILES
Flexibase
Physical Representations
|
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)
|
2.30 |
1.21 |
-37.28 |
2 |
2 |
1 |
20 |
189.282 |
3 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| ALOGPS_SOLUBILITY |
1.69e+00 g/l |
DrugBank-experimental |
| UniProt Database Links |
5NG4_PINTA; NRAM2_HUMAN; NRAM2_MOUSE; NRAM2_RAT; SAMHT_CHLMU; SAMHT_CHLT2; SAMHT_CHLTR; SAM_RICBR; SAM_RICCN; SAM_RICFE; SAM_RICPR; SAM_RICTY; UGAL2_ARATH; YDDG_ECOLI; YDDG_SALT1 |
ChEBI |
| Patent Database Links |
US2003120032; US2004214199; US2004242653; US2005203289; US2007179288; US2007249049 |
ChEBI |
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
5HT1A-1-E |
Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
259 |
0.66 |
Binding ≤ 10μM
|
|
5HT2A-1-E |
Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
65 |
0.72 |
Binding ≤ 10μM
|
|
5HT2B-1-E |
Serotonin 2b (5-HT2b) Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
101 |
0.70 |
Binding ≤ 10μM
|
|
5HT2C-1-E |
Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
33 |
0.75 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
5HT1A_HUMAN |
P08908
|
Serotonin 1a (5-HT1a) Receptor, Human |
410 |
0.64 |
Binding ≤ 1μM
|
|
5HT1A_RAT |
P19327
|
Serotonin 1a (5-HT1a) Receptor, Rat |
259 |
0.66 |
Binding ≤ 1μM
|
|
5HT2A_HUMAN |
P28223
|
Serotonin 2a (5-HT2a) Receptor, Human |
65 |
0.72 |
Binding ≤ 1μM
|
|
5HT2B_HUMAN |
P41595
|
Serotonin 2b (5-HT2b) Receptor, Human |
101 |
0.70 |
Binding ≤ 1μM
|
|
5HT2C_HUMAN |
P28335
|
Serotonin 2c (5-HT2c) Receptor, Human |
33 |
0.75 |
Binding ≤ 1μM
|
|
5HT1A_RAT |
P19327
|
Serotonin 1a (5-HT1a) Receptor, Rat |
259 |
0.66 |
Binding ≤ 10μM
|
|
5HT1A_HUMAN |
P08908
|
Serotonin 1a (5-HT1a) Receptor, Human |
410 |
0.64 |
Binding ≤ 10μM
|
|
5HT2A_HUMAN |
P28223
|
Serotonin 2a (5-HT2a) Receptor, Human |
65 |
0.72 |
Binding ≤ 10μM
|
|
5HT2A_RAT |
P14842
|
Serotonin 2a (5-HT2a) Receptor, Rat |
1636 |
0.58 |
Binding ≤ 10μM
|
|
5HT2B_HUMAN |
P41595
|
Serotonin 2b (5-HT2b) Receptor, Human |
101 |
0.70 |
Binding ≤ 10μM
|
|
5HT2C_HUMAN |
P28335
|
Serotonin 2c (5-HT2c) Receptor, Human |
33 |
0.75 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
G alpha (i) signalling events |
|
|
G alpha (q) signalling events |
|
|
Serotonin receptors |
|
No pre-computed analogs available. Try a structural similarity search.
