UCSF

ZINC19796031

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 26 No

Popular Name: Vinpocetine Vinpocetine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 42971-09-5 , [42971-09-5]

Other Names:

(+)-Apovincaminic acid ethyl ester

(+)-Apovincaminic acid ethyl ester; (+)-cis-Apovincaminic acid ethyl ester; 3-alpha,16-alpha-Apovincaminic acid ethyl ester; AY 27,255; Apovincaminate d'ethyle [French]; Apovincaminic acid ethyl ester; BRN 0900803; C22H26N2O2; Cavinton; EINECS 256-028-0

(+)-cis-Apovincaminic acid ethyl ester

(3alpha, 16alpha)-Eburnamenine-14-carboxylic acid ethyl ester

115986-87-3

1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine, eburnamenine-14-carboxylic acid deriv.

3-alpha,16-alpha-Apovincaminic acid ethyl ester

3A,16A-Apovincaminic acid ethyl ester

42971-09-5

42971-09-5; D01371; Vinpocetine (JAN/USAN/INN)

42971-09-5; Prestwick_963; Vinpocetine

AC1L9FGV

Apovincaminate d'ethyle

Apovincaminate d'ethyle [French]

Apovincaminic acid ethyl ester

AY 27,255

AY 27255

AY-27255

BPBio1_000128

Bravinton

BRD-A19374631-001-01-0

BRD-K53318339-001-05-8

BRN 0900803

BSPBio_000116

BSPBio_002561

C22H26N2O2

Cavinton

Ceractin

CHEBI:210947

CHEMBL71752

CID443955

cis-Apovincaminic acid ethyl ester

D01371

DAP001437

DivK1c_006423

Eburnamenine-14-carboxylic acid ethyl ester

eburnamenine-14-carboxylic acid, ethyl ester

Eburnamenine-14-carboxylic acid, ethyl ester, (3-alpha,16-alpha)-

eburnamenine-14-carboxylic acid, ethyl ester, (3a,16a)-

Eburnamenine-14-carboxylic acid, ethyl ester, (3alpha,16alpha)-

EINECS 256-028-0

Ethyl (+)-apovincaminate

Ethyl (+)-cis-apovincaminate

ethyl (3alpha,16alpha)-eburnamenine-14-carboxylate

Ethyl apovincamin-22-oate

ethyl apovincaminate, (3alpha,16alpha)-isomer

ethyl eburnamenine-14-carboxylate

EU-0101257

HMS1568F18

HMS1922G05

HMS2090J22

HMS2092L06

I06-1883

INN)

JAN

KBio1_001367

KBio2_001880

KBio2_004448

KBio2_007016

KBio3_001781

KBioGR_001430

KBioSS_001880

LS-63711

MFCD00211233

MLS000069635

MLS001076294

MolPort-003-666-450

N/A

NCGC00018204-05

NCGC00018204-10

NCGC00021727-04

NCGC00021727-05

NCGC00021727-06

NCGC00021727-07

NCGC00168782-01

Prestwick0_000268

Prestwick1_000268

Prestwick2_000268

Prestwick3_000268

Prestwick_963

RGH 4405

RGH-4405

SMR000058241

SPBio_001318

SPBio_002335

SpecPlus_000327

SPECTRUM1503115

Spectrum2_001529

Spectrum3_000961

Spectrum4_001075

Spectrum5_000966

Spectrum_001400

ST056350

TCV 3B

TCV-3B

Ultra-Vinca

USAN

USAN)

V 6383

V6383_SIGMA

vin-

Vinpocetin

Vinpocetine (Cavinton)

Vinpocetine (INN

Vinpocetine (JAN

Vinpocetine (JAN/USAN/INN)

Vinpocetine [USAN:INN:JAN]

Vinpocetine-ethyl apovincaminate

Vinpocetinum

Vinpocetinum [INN-Latin]

ZINC19796031

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.12 10.38 -9.37 0 4 0 34 350.462 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 150 - 152 °C Fluorochem
Purity >99% Fluorochem
Therapy cerebral vasodilator, antimotion SMDC Pharmakon
PUBCHEM_PATENT_ID EP0120832A1; EP0154756A1; EP0154756B2; EP0168197A2; EP0202051A2; EP0202051B1; EP0240721A2; EP0277741A1; EP0283551A2; EP0303232A2; EP0303232B1; EP0315698A1; EP0315698B1; EP0361873A2; EP0361873B1; EP0361874A2; EP0361874B1; EP0368247A2; EP0368247B1; EP038143 IBM Patent Data
Target Sodium Channel Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 7943 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 7943.28235 0.27 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )