EMD-386088 hydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H15ClN2.ClH
Molecular Weight	283.196
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC1=C(C2=CC(Cl)=CC=C2N1)C3=CCNCC3

InChI

InChIKey=WWSNDUWIZDYGIQ-UHFFFAOYSA-N

InChI=1S/C14H15ClN2.ClH/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9;/h2-4,8,16-17H,5-7H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C14H15ClN2
Molecular Weight	246.735
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Potency
Serotonin 1a (5-HT1a) receptor 172 Target ID: CHEMBL273 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16055331	Binding Agent 1064	660.0 nM [IC50]
Serotonin 1b (5-HT1b) receptor 46 Target ID: CHEMBL3459 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16055331	Binding Agent 1064	180.0 nM [IC50]
Serotonin 2a (5-HT2a) receptor 231 Target ID: CHEMBL224 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16055331	Binding Agent 1064	240.0 nM [IC50]
Serotonin 2c (5-HT2c) receptor 124 Target ID: CHEMBL225 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16055331	Binding Agent 1064	450.0 nM [IC50]
Serotonin 6 (5-HT6) receptor 45 Target ID: CHEMBL3371 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16055331	Agonist 2678	7.4 nM [IC50]
Serotonin 7 (5-HT7) receptor 31 Target ID: CHEMBL3155 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16055331	Binding Agent 1064	3.0 µM [IC50]
Serotonin 3 receptor (5HT3) 2 Target ID: CHEMBL2111333 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16055331	Binding Agent 1064	34.0 nM [IC50]
Serotonin 4 (5-HT4) receptor 39 Target ID: CHEMBL5017 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16055331	Binding Agent 1064	620.0 nM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:12:47 GMT 2023` Edited by `admin` on `Sat Dec 16 19:12:47 GMT 2023`
Record UNII	F6WU3NK3K8
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

EMD-386088 hydrochloride

Common Name

English

1H-Indole, 5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-, hydrochloride (1:1)

Systematic Name

English

EMD386088 hydrochloride

Common Name

English

5-Chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole hydrochloride

Systematic Name

English

Code System Code Type Description

FDA UNII

F6WU3NK3K8

Created by admin on Sat Dec 16 19:12:47 GMT 2023 , Edited by admin on Sat Dec 16 19:12:47 GMT 2023

PRIMARY

EPA CompTox

DTXSID90719336

Created by admin on Sat Dec 16 19:12:47 GMT 2023 , Edited by admin on Sat Dec 16 19:12:47 GMT 2023

PRIMARY

PUBCHEM

56972198

Created by admin on Sat Dec 16 19:12:47 GMT 2023 , Edited by admin on Sat Dec 16 19:12:47 GMT 2023

PRIMARY

CAS

1171123-46-8

Created by admin on Sat Dec 16 19:12:47 GMT 2023 , Edited by admin on Sat Dec 16 19:12:47 GMT 2023

PRIMARY

Related Record Type Details


					URZ93Y3D9J

EMD-386088

PARENT -> SALT/SOLVATE

Amount: