UCSF

ZINC19632663

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 36 No

Popular Name: Cilnidipine Cilnidipine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 132203-70-4 , 80621-81-4 , [132203-70-4]

Other Names:

"Cilnidipine, 99%"

(+-)-(E)-Cinnamyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate

(+-)-(E)-Cinnamyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate; 2-methoxyethyl-3-phenyl-2-propen-1-yl-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate; 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2

dipine

pin(e)

1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 2-methoxyethyl (2E)-3-phenyl-2-propenyl ester

132203-70-4

132203-70-4; Atelec (TN); Cilnidipine (JAN/INN); D01173

2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-(2-methoxy-ethyl) ester 5-((E)-3-phenyl-allyl) ester

2-methoxyethyl (2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl 3-phenyl-2-propenyl ester, (E)-(+-)-

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-methoxyethyl 3-phenyl-2-propenyl ester, (E)-(+-)-

3-Cinnamyl 5-(2-methoxyethyl) 2,6-dimethyl-4-((2E)-3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

3-Cinnamyl 5-(2-methoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

3-O-(2-methoxyethyl) 5-O-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

AC-270

AC1NQZJB

Atelec

Atelec (TN)

Bio-0164

BRD-A07875874-001-01-6

C1493_SIGMA

C27H28N2O7

CHEBI:31399

CHEBI:438069

CHEBI:551341

CHEMBL452076

CID5282138

Cilnidipine (INN)

Cilnidipine (JAN/INN)

Cilnidipine [INN]

Cinaldipine

Cinalong

D01173

DCL000288

FRC 8653

FRC-8653

HMS2089J07

I06-0491

LS-131293

MFCD00865853

MolPort-003-845-950

NCGC00162150-01

NCGC00162150-02

NCGC00162150-03

QA-0672

RIFAXIMIN

S1293_Selleck

Siscard

STK623341

Download: MOL2 SDF SMILES Flexibase

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) 5.72 14.87 -18.72 1 9 0 120 492.528 12 ↓

Vendor Notes

Note Type Comments Provided By
biological_use Antihypertensive agent ZereneX Building Blocks
Purity 99% APIChem
Indications Antihypertensive KeyOrganics Bioactives
biological_use Antihypertensive agent IBScreen Bioactives IBScreen Bioactives
Target Calcium Channel Selleck Chemicals
mechanism Calcium channel blocker IBScreen Bioactives
biological_use Cardiovascular agent IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAC1B-1-E Voltage-gated N-type Calcium Channel Alpha-1B Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 1600 0.23 Functional ≤ 10μM
CAC1C-1-E Voltage-gated L-type Calcium Channel Alpha-1C Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.35 Functional ≤ 10μM
CAC1D-1-E Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.35 Functional ≤ 10μM
CAC1S-1-E Voltage-gated L-type Calcium Channel Alpha-1S Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.35 Functional ≤ 10μM
Z50466-1-O Trypanosoma Cruzi (cluster #1 Of 8), Other Other 5620 0.20 Functional ≤ 10μM
Z80175-1-O IMR-32 (Neuroblastoma Cells) (cluster #1 Of 2), Other Other 1600 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80175 Z80175 IMR-32 (Neuroblastoma Cells) 1600 0.23 Functional ≤ 10μM
Z50466 Z50466 Trypanosoma Cruzi 5620 0.20 Functional ≤ 10μM
CAC1C_RAT P22002 Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Rat 1.1 0.35 Functional ≤ 10μM
CAC1D_RAT P27732 Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Rat 1.1 0.35 Functional ≤ 10μM
CAC1S_RAT Q02485 Voltage-gated L-type Calcium Channel Alpha-1S Subunit, Rat 1.1 0.35 Functional ≤ 10μM
CAC1B_HUMAN Q00975 Voltage-gated N-type Calcium Channel Alpha-1B Subunit, Human 1600 0.23 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Depolarization of the Presynaptic Terminal Triggers the Opening of Calcium Chann

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