PACTIMIBE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H40N2O3
Molecular Weight	416.5967
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCN1CCC2=C(C)C(CC(O)=O)=C(C)C(NC(=O)C(C)(C)C)=C12

InChI

InChIKey=TXIIZHHIOHVWJD-UHFFFAOYSA-N

InChI=1S/C25H40N2O3/c1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-21(28)29)18(3)22(23(19)27)26-24(30)25(4,5)6/h7-16H2,1-6H3,(H,26,30)(H,28,29)

HIDE SMILES / InChI

Molecular Formula	C25H40N2O3
Molecular Weight	416.5967
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:29:10 UTC 2023` Edited by `admin` on `Fri Dec 15 16:29:10 UTC 2023`
Record UNII	D874R9PZ9T
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PACTIMIBE

Official Name

English

Pactimibe [WHO-DD]

Common Name

English

(7-(2,2-DIMETHYLPROPANAMIDO)-4,6-DIMETHYL-1-OCTYLINDOLIN-5-YL)ACETIC ACID

Systematic Name

English

pactimibe [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C471

Created by admin on Fri Dec 15 16:29:11 UTC 2023 , Edited by admin on Fri Dec 15 16:29:11 UTC 2023

Code System Code Type Description

DRUG BANK

DB12971

Created by admin on Fri Dec 15 16:29:10 UTC 2023 , Edited by admin on Fri Dec 15 16:29:10 UTC 2023

PRIMARY

NCI_THESAURUS

C66290

Created by admin on Fri Dec 15 16:29:11 UTC 2023 , Edited by admin on Fri Dec 15 16:29:11 UTC 2023

PRIMARY

FDA UNII

D874R9PZ9T

Created by admin on Fri Dec 15 16:29:11 UTC 2023 , Edited by admin on Fri Dec 15 16:29:11 UTC 2023

PRIMARY

EPA CompTox

DTXSID80172315

Created by admin on Fri Dec 15 16:29:11 UTC 2023 , Edited by admin on Fri Dec 15 16:29:11 UTC 2023

PRIMARY

INN

8269

Created by admin on Fri Dec 15 16:29:11 UTC 2023 , Edited by admin on Fri Dec 15 16:29:11 UTC 2023

PRIMARY

SMS_ID

300000036933

Created by admin on Fri Dec 15 16:29:11 UTC 2023 , Edited by admin on Fri Dec 15 16:29:11 UTC 2023

PRIMARY

MESH

C509302

Created by admin on Fri Dec 15 16:29:11 UTC 2023 , Edited by admin on Fri Dec 15 16:29:11 UTC 2023

PRIMARY

CAS

189198-30-9

Created by admin on Fri Dec 15 16:29:10 UTC 2023 , Edited by admin on Fri Dec 15 16:29:10 UTC 2023

PRIMARY

PUBCHEM

3081927

Created by admin on Fri Dec 15 16:29:11 UTC 2023 , Edited by admin on Fri Dec 15 16:29:11 UTC 2023

PRIMARY

ChEMBL

CHEMBL478858

Created by admin on Fri Dec 15 16:29:10 UTC 2023 , Edited by admin on Fri Dec 15 16:29:10 UTC 2023

PRIMARY

Related Record Type Details


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Amount:


					FX3YKK43YM

PACTIMIBE SULFATE

SALT/SOLVATE -> PARENT

Amount:


					ZX7XK4NS7A

Sterol O-acyltransferase 1

TARGET -> INHIBITOR

Amount:


					HPN66MJEK8

LIVER CARBOXYLESTERASE 1

TARGET -> INHIBITOR

Amount:


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE

Amount:

Related Record Type Details


					RF2NLY247R

7-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-1-(7-HYDROXYOCTYL)-4,6-DIMETHYL-1H-INDOLE-5-ACETIC ACID

METABOLITE -> PARENT

Amount:


					MAX68OO0P8

1H-INDOLE-5-ACETIC ACID, 7-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-4,6-DIMETHYL-1-OCTYL-

METABOLITE -> PARENT

Amount:


					QVG61AHA6F

1H-INDOLE-5-ACETIC ACID, 7-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-2,3-DIHYDRO-1-(7-HYDROXYOCTYL)-4,6-DIMETHYL-

METABOLITE -> PARENT

Amount:

Related Record Type Details


					D874R9PZ9T

PACTIMIBE

ACTIVE MOIETY

Amount:

Name	Property Type	Parameters
Tmax	PHARMACOKINETIC	IN HEALTHY MALE VOLUNTEERS DOSE ORAL ADMINISTRATION

Biological Half-life	PHARMACOKINETIC	ORAL ADMINISTRATION IN HEALTHY MALE VOLUNTEERS DOSE

Tmax	PHARMACOKINETIC	DOSE IN HEALTHY MALE VOLUNTEERS ORAL ADMINISTRATION

Biological Half-life	PHARMACOKINETIC	DOSE ORAL ADMINISTRATION IN HEALTHY MALE VOLUNTEERS