DACLATASVIR

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H50N8O6
Molecular Weight	738.875
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DACLATASVIR

Structure Search

SMILES

COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C

InChI

InChIKey=FKRSSPOQAMALKA-CUPIEXAXSA-N

InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H50N8O6
Molecular Weight	738.875
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:47:59 UTC 2023` Edited by `admin` on `Fri Dec 15 19:47:59 UTC 2023`
Record UNII	LI2427F9CI
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DACLATASVIR

Official Name

English

DIMETHYL N,N'-((1,1'-BIPHENYL)-4,4'-DIYLBIS(1H-IMIDAZOLE-5,2-DIYL-((2S)-PYRROLIDINE-2,1-DIYL)((1S)-3-METHYL-1-OXOBUTANE-1,2-DIYL)))DICARBAMATE

Common Name

English

DACLATASVIR [USAN]

Common Name

English

Daclatasvir [WHO-DD]

Common Name

English

EBP-883

Code

English

BMS 790052

Code

English

daclatasvir [INN]

Common Name

English

DACLATASVIR [MI]

Common Name

English

EBP 883

Code

English

CARBAMIC ACID, N,N'-((1,1'-BIPHENYL)-4,4'-DIYLBIS(1H-IMIDAZOLE-5,2-DIYL-(2S)-2,1-PYRROLIDINEDIYL((1S)-1-(1-METHYLETHYL)-2-OXO-2,1-ETHANEDIYL)))BIS-, C,C'-DIMETHYL ESTER

Common Name

English

DCV

Common Name

English

BMS-790052

Code

English

Classification Tree Code System Code

WHO-ATC

J05AP07

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

WHO-ATC

J05AX14

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

NCI_THESAURUS

C281

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

NDF-RT

N0000191256

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

Code System Code Type Description

NDF-RT

N0000185503

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

P-Glycoprotein Inhibitors [MoA]

NDF-RT

N0000190113

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

Breast Cancer Resistance Protein Inhibitors [MoA]

LACTMED

Daclatasvir

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

EVMPD

SUB75341

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

USAN

XX-58

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

CAS

1009119-64-5

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

CHEBI

82977

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

NDF-RT

N0000190108

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

Organic Anion Transporting Polypeptide 1B3 Inhibitors [MoA]

DRUG BANK

DB09102

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

RXCUI

1606218

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

RxNorm

MESH

C549273

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

INN

9483

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

MERCK INDEX

m11764

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

DRUG CENTRAL

4875

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

FDA UNII

LI2427F9CI

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

SMS_ID

100000137370

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

NCI_THESAURUS

C114981

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

PUBCHEM

25154714

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

NDF-RT

N0000190107

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

Organic Anion Transporting Polypeptide 1B1 Inhibitors [MoA]

ChEMBL

CHEMBL2023898

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

WIKIPEDIA

Daclatasvir

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

EPA CompTox

DTXSID901026404

Created by admin on Fri Dec 15 19:47:59 UTC 2023 , Edited by admin on Fri Dec 15 19:47:59 UTC 2023

PRIMARY

Related Record Type Details


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					LI2427F9CI

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:


					LI2427F9CI

EXCRETED UNCHANGED

Qualification:

URINE

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE


					50ZO25C11D

DACLATASVIR DIHYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					GE6B44J7GP

METHYL N-((1S)-2-METHYL-1-((2S)-2-(5-(4-(4-OXALDEHYDOYLPHENYL)PHENYL)-1H-IMIDAZOL-2-YL)PYRROLIDINE-1-CARBONYL)PROPYL)CARBAMATE

METABOLITE -> PARENT


					5V6X9P8JH9

CARBAMIC ACID, N-((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1-((2S)-2-AMINO-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)-1H-IMIDAZOL-2-YL)-1-PYRROLIDINYL)CARBONYL)-2-METHYLPROPYL)-, METHYL ESTER

METABOLITE -> PARENT


					3BP5HX5KJU

2-(4-(4-(2-((2S)-1-((2S)-2-(METHOXYCARBONYLAMINO)-3-METHYL-BUTANOYL)PYRROLIDIN-2-YL)-1H-IMIDAZOL-5-YL)PHENYL)PHENYL)-2-OXO-ACETIC ACID

METABOLITE -> PARENT


					H8C9RV6JWH

METHYL N-((1S)-1-((2S)-2-(5-(4-(4-((8S)-8-(((2S)-2-AMINO-3-METHYL-BUTANOYL)AMINO)-5-HYDROXY-5,6,7,8-TETRAHYDROIMIDAZO(1,2-A)PYRIDIN-3-YL)PHENYL)PHENYL)-1H-IMIDAZOL-2-YL)PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL)CARBAMATE

METABOLITE -> PARENT


					P7BC3Z5VM7

CARBAMIC ACID, N-((1S)-1-(((2S)-2-(5-(4'-(2-((2R,3R)-3-HYDROXY-1-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)-1H-IMIDAZOL-2-YL)-1-PYRROLIDINYL)CARBONYL)-2-METHYLPROPYL)-, METHYL ESTER

METABOLITE -> PARENT


					SY6HPB2YFS

CARBAMIC ACID, N-((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1-((2S,3R)-4-HYDROXY-2-((METHOXYCARBONYL)AMINO)-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)-1H-IMIDAZOL-2-YL)-1-PYRROLIDINYL)CARBONYL)-2-METHYLPROPYL)-, METHYL ESTER

METABOLITE -> PARENT


					4K8JA2N2S8

4'-(2-((2S)-1-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)(1,1'-BIPHENYL)-4-CARBOXYLIC ACID

METABOLITE -> PARENT

Related Record Type Details


					LI2427F9CI

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC

Tmax	PHARMACOKINETIC				MULTIPLE DOSE ORAL ADMINISTRATION