Org-27569

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H28ClN3O
Molecular Weight	409.952
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC1=C(NC2=C1C=C(Cl)C=C2)C(=O)NCCC3=CC=C(C=C3)N4CCCCC4

InChI

InChIKey=AHFZDNYNXFMRFQ-UHFFFAOYSA-N

InChI=1S/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)

HIDE SMILES / InChI

Molecular Formula	C24H28ClN3O
Molecular Weight	409.952
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	Condition	Potency
Cannabinoid receptor 1 33 Target ID: P21554\|\|\|Q5UB37 Gene ID: 1268.0 Gene Symbol: CNR1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/25169627	Negative Allosteric Modulator 43

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:44:43 GMT 2025` Edited by `admin` on `Mon Mar 31 23:44:43 GMT 2025`
Record UNII	7YW2S3Z2CB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Org-27569

Code

English

1H-INDOLE-2-CARBOXAMIDE, 5-CHLORO-3-ETHYL-N-(2-(4-(1-PIPERIDINYL)PHENYL)ETHYL)-

Preferred Name

English

5-CHLORO-3-ETHYL-N-(2-(4-(PIPERIDIN-1-YL)PHENYL)ETHYL)-1H-INDOLE-2-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID00660764