PHA-543613

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H17N3O2
Molecular Weight	271.3144
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PHA-543613

Structure Search

SMILES

O=C(N[C@H]1CN2CCC1CC2)C3=CC4=C(OC=C4)C=N3

InChI

InChIKey=IPKZCLGGYKRDES-ZDUSSCGKSA-N

InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H17N3O2
Molecular Weight	271.3144
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:56:28 UTC 2023` Edited by `admin` on `Sat Dec 16 10:56:28 UTC 2023`
Record UNII	R36R9KVD6Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHA-543613

Common Name

English

N-((3R)-1-AZABICYCLO(2.2.2)OCT-3-YL)FURO(2,3-C)PYRIDINE-5-CARBOXAMIDE

Systematic Name

English

(R)-N-(QUINUCLIDIN-3-YL)FURO(2,3-C)PYRIDINE-5-CARBOXAMIDE

Systematic Name

English

PHA-543,613

Code

English

PHA-00543613

Common Name

English

J3.179.420J

Code

English

FURO(2,3-C)PYRIDINE-5-CARBOXAMIDE, N-(3R)-1-AZABICYCLO(2.2.2)OCT-3-YL-

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

PHA-543,613

Created by admin on Sat Dec 16 10:56:29 UTC 2023 , Edited by admin on Sat Dec 16 10:56:29 UTC 2023

PRIMARY

ChEMBL

CHEMBL214268

Created by admin on Sat Dec 16 10:56:29 UTC 2023 , Edited by admin on Sat Dec 16 10:56:29 UTC 2023

PRIMARY

FDA UNII

R36R9KVD6Y

Created by admin on Sat Dec 16 10:56:29 UTC 2023 , Edited by admin on Sat Dec 16 10:56:29 UTC 2023

PRIMARY

EPA CompTox

DTXSID6047284

Created by admin on Sat Dec 16 10:56:29 UTC 2023 , Edited by admin on Sat Dec 16 10:56:29 UTC 2023

PRIMARY

PUBCHEM

9930121

Created by admin on Sat Dec 16 10:56:29 UTC 2023 , Edited by admin on Sat Dec 16 10:56:29 UTC 2023

PRIMARY

CAS

892497-69-7

Created by admin on Sat Dec 16 10:56:29 UTC 2023 , Edited by admin on Sat Dec 16 10:56:29 UTC 2023

SUPERSEDED

CAS

478149-53-0

Created by admin on Sat Dec 16 10:56:29 UTC 2023 , Edited by admin on Sat Dec 16 10:56:29 UTC 2023

PRIMARY

Related Record Type Details


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NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT ALPHA-7

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Comments:

PHA-543,613: A SELECTIVE AND POTENT AGONIST WITH NOOTROPIC PROPERTIES.

Amount:


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CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE

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FETAL HEPATIC FLAVIN-CONTAINING MONOOXYGENASE 1 (HUMAN)

METABOLIC ENZYME -> SUBSTRATE

Amount:

Related Record Type Details


					Z1EM315XGM

PHA-543613-GLUCURONIDE

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					I4GAS51BPA

FURANOPYRIDINE OXIDATED PHA-543613 CARBOXYLIC ACID

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					3J4F5Y31BN

PHA-543613 OXIDE (QUINUCLIDINE NITROGEN OXIDE)

METABOLITE -> PARENT

Qualification:

URINE

Amount:

Related Record Type Details


					R36R9KVD6Y

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				IN MALE SINGLE ORAL DOSE ADMINISTRATION

Biological Half-life	PHARMACOKINETIC				SINGLE ORAL DOSE ADMINISTRATION IN MALE

Biological Half-life	PHARMACOKINETIC				SINGLE ORAL DOSE ADMINISTRATION IN FEMALE

Tmax	PHARMACOKINETIC				SINGLE ORAL DOSE ADMINISTRATION IN FEMALE