Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00189
|
|||||
| Drug Name |
Serotonin
|
|||||
| Synonyms |
1H-Indol-5-ol, 3-(2-aminoethyl)-; 3-(2-Amino-ethyl)-1H-indol-5-ol; 3-(2-Aminoethyl)-1H-indol-5-ol; 3-(2-Aminoethyl)indol-5-ol; 3-(beta-Aminoethyl)-5-hydroxyindole; 333DO1RDJY; 5-HT; 5-HYDROXYTRYPTAMINE; 5-Hta; 5-Hydroxy-3-(beta-aminoethyl)indole; 50-67-9; Antemoqua; Antemovis; BRN 0143524; CHEBI:28790; Ds substance; EINECS 200-058-9; Enteramin; Enteramine; Hippophain; Indol-5-ol, 3-(2-aminoethyl)-; Serotonine; Substance DS; Substanz DS; Thrombocytin; Thrombotonin; Tryptamine, 5-hydroxy-; UNII-333DO1RDJY
|
|||||
| Drug Type |
Small molecular drug
|
|||||
| Indication | Discovery agent [ICD11:N.A.] | Investigative | ||||
| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C10H12N2O
|
|||||
| Canonical SMILES |
C1=CC2=C(C=C1O)C(=CN2)CCN
|
|||||
| InChI |
InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
|
|||||
| InChIKey |
QZAYGJVTTNCVMB-UHFFFAOYSA-N
|
|||||
| CAS Number |
CAS 50-67-9
|
|||||
| Pharmaceutical Properties | Molecular Weight | 176.21 | Topological Polar Surface Area | 62 | ||
| Heavy Atom Count | 13 | Rotatable Bond Count | 2 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 2 | |||
| XLogP |
0.2
|
|||||
| PubChem CID | ||||||
| PubChem SID |
11111288
,11111289
,11120330
,11120818
,11121306
,11121741
,11122221
,11362866
,11364882
,11365428
,11367444
,11367990
,11370006
,11370943
,11370944
,11373045
,11373591
,11375606
,11376152
,11378175
,11466509
,11467629
,11485998
,15120541
,26737386
,26754231
,26754232
,26754233
,29224259
,3249485
,4041
,47662064
,47662065
,47662066
,47662067
,47662068
,47810539
,47810540
,47885201
,47885202
,47885203
,47959524
,48110239
,48259014
,48334252
,6492753
,7978601
,803912
,8144285
,8153195
|
|||||
| ChEBI ID |
CHEBI:28790
|
|||||
| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | 2-Oct | Transporter Info | Organic cation transporter 2 | Substrate | [1] | |
| ENT4 | Transporter Info | Equilibrative nucleoside transporter 4 | Substrate | [2] | ||
| SERT | Transporter Info | Sodium-dependent serotonin transporter | Substrate | [3] | ||
| VMAT1 | Transporter Info | Vesicular amine transporter 1 | Substrate | [4] | ||
| VMAT2 | Transporter Info | Vesicular amine transporter 2 | Substrate | [4] | ||
| Drug-Transporter Activity Data | ||||||
| Drug-Transporter Activity Data | 2-Oct | Transporter Info | Km =290 microM | Human embryonic kidney cells (HEK293)-OCT2 | [1] | |
| 2-Oct | Transporter Info | Km =80 microM | Oocytes-OCT2 | [5] | ||
| References | ||||||
| 1 | Differential pharmacological in vitro properties of organic cation transporters and regional distribution in rat brain. Neuropharmacology. 2006 Jun;50(8):941-52. | |||||
| 2 | Autism spectrum disorder associated with low serotonin in CSF and mutations in the SLC29A4 plasma membrane monoamine transporter (PMAT) gene. Mol Autism. 2014 Aug 13;5:43. | |||||
| 3 | Serotonin transporter gene, depressive symptoms, and interleukin-6. Circ Cardiovasc Genet. 2009 Dec;2(6):614-20. | |||||
| 4 | SLC18: Vesicular neurotransmitter transporters for monoamines and acetylcholine. Mol Aspects Med. 2013 Apr-Jun;34(2-3):360-72. | |||||
| 5 | Human neurons express the polyspecific cation transporter hOCT2, which translocates monoamine neurotransmitters, amantadine, and memantine. Mol Pharmacol. 1998 Aug;54(2):342-52. | |||||
If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.