UCSF

ZINC01534965

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 31 Yes

Popular Name: Pitavastatin calcium Pitavastatin calcium

Find On: PubMed — Wikipedia — Google

CAS Numbers: 147511-69-1 , 147511-70-4 , 147526-32-7 , [147511-70-4] , [147526-32-7]

Other Names:

(+)-Monocalcium bis{(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydroxy-6-heptenoate}

(+)-monocalciumbis{(3r,5s,6e)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydroxy-6-hepten

(+)-Monocalciumbis{(3r,5s,6e)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydroxy-6-heptenoate}

(3R,5S)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydroxy-6-heptane acid (+)-phenylethylamine salt

(3R,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid (+)-phenylethylamine salt

stat-

147526-32-7; D01862; Livalo (TN); NK 104; Pitavastatin calcium (JAN)

2C25H23FNO4.Ca; 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, calcium salt (2:1), (S-(R*,S*-(E)))-; 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-,calcium salt (2:1), (3R,5S,6E)-; L

Alipza

Bis((3R,5S,6E)-7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoate) monocalcium salt; Pitavastatin hemicalcium

Calcium (3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate

Calcium bis{(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate}

CPD000469287; ITAVASTATIN Ca

CPD000469287; ITAVASTATIN Ca; SAM001246803

CPD000469287; ITAVASTATIN Ca; SAM001246803; itavastatin

DNC001025

DNC013453

Itavastatin calcium

Livalo

Livazo

LS-190698

MFCD01937979

MFCD12911896

NA

Nisvastatin

NK 104; NK-104

NK-104

NKS-104

pitavastatia; pitavastatin; pitavastatine; pitavastatinum

Pitavastatin

Pitavastatin (Calcium)

Pitavastatin (INN); Pitavastatin Calcium (FDA)

Pitavastatin Calcium

Pitavastatin Calcium (FDA); Pitavastatin (INN)

Pitavastatin calcium (JAN)

Pitavastatin calcium (Livalo)

Pitavastatin calcium, 98%+

Pitavastatin calcium;Nisvastatin

Redevant

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) 3.91 10.86 -52.09 2 5 -1 93 420.46 8 ↓
Lo Low (pH 4.5-6) 3.91 11.16 -65.01 3 5 0 95 421.468 8 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.94e-03 g/l DrugBank-approved
Indications antihypercholesterolemic KeyOrganics Bioactives
UniProt Database Links APOBR_HUMAN; S22A8_RAT ChEBI
Target HMG-CoA Reductase Selleck Chemicals
Therapy HMGA reductase inhibitor SMDC Pharmakon
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02390i NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02390i NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HMDH-2-E HMG-CoA Reductase (cluster #2 Of 2), Eukaryotic Eukaryotes 8900 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HMDH_HUMAN P04035 HMG-CoA Reductase, Human 8900 0.23 Binding ≤ 10μM

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