UCSF

ZINC19685790

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 45 No

Popular Name: Lercanidipine Lercanidipine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100427-26-7 , 100427-27-8 , 132866-11-6

Other Names:

(+-)-2-((3,3-Diphenylpropyl)methylamino)-1,1-dimethylethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate

(+-)-2-((3,3-Diphenylpropyl)methylamino)-1,1-dimethylethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate; C36H41N3O6; LS-130876; Lercanidipine; Lercanidipine [INN]; REC 15-2375; REC-15-2375; methyl-1,1-dimethyl-2-(N-(3,3-diph

dipine

pin(e)

1-[(3,3-diphenylpropyl)(methyl)amino]-2-methylpropan-2-yl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

100427-26-7

100427-26-7; D08111; Lercanidipine (INN); Lercanil (TN)

132866-11-6; Cardiovasc (TN); D01849; Lercanidipine hydrochloride (JAN/USAN)

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-[2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl] 5-methyl ester

5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

AC-15409

AC1L244Q

AC1Q1ZXR

C36H41N3O6

Cardiovasc

Carmen

CHEMBL250270

CID65866

Corifeo

D08111

DAP001261

DB00528

I06-0228

INN); Lercanidipine HCl (USAN)

INN); Lercanidipine Hydrochloride (USAN)

LCP-Lerc

Lercadip

Lercan

Lercanidipine (BAN

Lercanidipine (INN)

Lercanidipine Hydrochloride

Lercanidipine [INN]

Lercanil

Lercanil (TN)

Lerdip

Lerzam

LS-130876

Masnidipine

Masnidipine hydrochloride

Masnidipine

methyl-1,1-dimethyl-2-(N-(3,3-diphenylpropyl)-N-methylamino)ethyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

MolPort-005-935-354

NCGC00167492-01

NCGC00167492-02

REC 15-2375

REC-15-2375

REC-15/2375

STK639861

TJN-324

UNII-V7XTJ4R0BH

Zanedip

Zanidip

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) 7.87 21.02 -52.19 2 9 1 115 612.747 14 ↓
Hi High (pH 8-9.5) 7.87 19.22 -17.68 1 9 0 114 611.739 14 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.56e-04 g/l DrugBank-approved
biological_use Antihypertensive agent IBScreen Bioactives
mechanism Calcium antagonist IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50466-1-O Trypanosoma Cruzi (cluster #1 Of 8), Other Other 8430 0.16 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50466 Z50466 Trypanosoma Cruzi 8430 0.16 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.