CP-135807

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H21N5O2
Molecular Weight	351.4023
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1CCC[C@@H]1CC2=CNC3=C2C=C(NC4=C(C=CC=N4)[N+]([O-])=O)C=C3

InChI

InChIKey=YPFIYPNOWVPAPR-OAHLLOKOSA-N

InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H21N5O2
Molecular Weight	351.4023
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/8057297
Curator's Comment: description was created based on several sources, including: https://www.ncbi.nlm.nih.gov/pubmed/9225281 | http://adisinsight.springer.com/drugs/800005784

CP 135807 is a selective 5-HT1D receptor agonist. Preclinical development for migraine was proposed but no development report released. This compound is used for neuroscience research.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Serotonin 1d (5-HT1d) receptor 52 Target ID: CHEMBL1983 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8057297	Agonist 2678	3.1 nM [IC50]
Serotonin 1a (5-HT1a) receptor 172 Target ID: CHEMBL214 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8057297	Agonist 2678	33.0 nM [IC50]
Serotonin 1b (5-HT1b) receptor 46 Target ID: CHEMBL1898 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9225281	Agonist 2678	1.0 nM [Ki]
Serotonin 1 receptors; 5-HT1B & 5-HT1D 4 Target ID: CHEMBL2095230 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9225281	Agonist 2678	2.2 nM [Ki]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Migraine 103 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8057297	Primary		Preclinical	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
The antipsychotic drug risperidone interacts with auto- and hetero-receptors regulating serotonin output in the rat frontal cortex.	1999 Aug	10462130
Receptor-mediated regulation of serotonin output in the rat dorsal raphe nucleus: effects of risperidone.	2001 Jan	11271402

Patents

Sample Use Guides

In Vivo Use Guide

3 mg/kg

Route of Administration: Other

In Vitro Use Guide

The effect of various compounds on the [35S]GTPgammaS binding mediated by gp5-HT1B receptors – pEC50 = 8.38 (EC50=4.1 nM).

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:02:15 GMT 2023` Edited by `admin` on `Sat Dec 16 18:02:15 GMT 2023`
Record UNII	TE348FQ6DA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CP-135807

Code

English

3-[[(2R)-1-Methyl-2-pyrrolidinyl]methyl]-N-(3-nitro-2-pyridinyl)-1H-indol-5-amine

Systematic Name

English

3-[[(2R)-1-Methylpyrrolidin-2-yl]methyl]-N-(3-nitropyridin-2-yl)-1H-indol-5-amine

Systematic Name

English

1H-Indol-5-amine, 3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-N-(3-nitro-2-pyridinyl)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

5487088