UCSF

ZINC00001669

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 11 Yes

Popular Name: MEGLUTOL MEGLUTOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 503-49-1 , 61489-71-2

Other Names:

"3-Hydroxy-3-methylglutaric acid, 98%"

(S)-3-Hydroxy-3-methylglutarate; (S)-3-Hydroxy-3-methylglutaric acid; (S)-Meglutol; 3-hydorxy-3-methylglutaric acid; 3-hydroxy-3-methylglutarate; 3-hydroxy-3-methylpentanedioic acid; 503-49-1; CPD-547; beta-Hydroxy-beta-methylglutaric acid; dicrotalic aci

(S)-3-Hydroxy-3-methylglutaric acid; (S)-Meglutol; 3-HYDROXY-3-METHYL-GLUTARIC ACID; 3-Hydorxy-3-methylglutaric acid; 3-Hydroxy-3-methylglutarate; 3-Hydroxy-3-methylglutaric acid; 3-Hydroxy-3-methylpentanedioic acid; CB 337; Dicrotalic acid; Glutaric acid

3-Hydorxy-3-methylglutaric acid; 3-Hydroxy-3-methylglutarate; 3-Hydroxy-3-methylpentanedioic acid; 503-49-1; C03761; Dicrotalic acid; Meglutol; beta-Hydroxy-beta-methylglutaric acid

3-Hydroxy-3-Methyl (D3) Glutaric Acid

3-HYDROXY-3-METHYL (D3)GLUTARIC ACID; [59060-36-5]

3-Hydroxy-3-Methyl-Glutaric Acid

3-Hydroxy-3-methyl-Glutaric acid;3-Hydroxy-3-methylglutarate;3-Hydroxy-3-methylglutaric acid;3-Hydroxymethylglutarate;3-Hydroxymethylglutaric acid;3-Methyl-3-hydroxyglutarate;3-Methyl-3-hydroxyglutaric acid;b-Hydroxy-b-methylglutarate;b-Hydroxy-b-methylgl

3-hydroxy-3-methylglutarate(1-)

3-Hydroxy-3-methylglutaric acid

3-Hydroxy-3-methylglutaric acid; 3-Hydroxy-3-methylpentanedioic acid; BRN 1769194; C6H10O5; CB 337; CB-337; Dicrotalic acid; EINECS 207-971-1; Glutaric acid, 3-hydroxy-3-methyl-; HMG; HMGA; LS-71997; Lipoglutaren; Medroglutaric acid; Meglutol; Meglutol [U

3-Hydroxy-3-MethylglutaricAcid

3-Hydroxy-3-methylpentanedioic acid

3-Hydroxymethylglutaric acid

3-Methyl-3-hydroxypentanedioate

503-49-1; D04897; Meglutol (USAN/INN)

beta-hydroxy-beta-methylglutaric acid

CB-337

CHEBI:391; CHEBI:1524; CHEBI:20043; CHEBI:43804; CHEBI:18746; CHEBI:30919; CHEBI:11044

Dicrotalic acid

DNC004979

HMG

HMGA

HUMAN MENOPAUSAL GONADOTROPHIN

INN)

Meglutol (INN

Meglutol (USAN

meglutol; meglutolum

MFCD00002712

USAN)

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) -0.85 2.84 -103.12 1 5 -2 100 160.125 4 ↓
Lo Low (pH 4.5-6) -0.85 0.84 -50.67 2 5 -1 98 161.133 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 109 TCI
BP 120 / 13 TCI
ALOGPS_SOLUBILITY 2.75e+02 g/l DrugBank-experimental
Therapy antihyperlipoproteinemia SMDC Pharmakon
UniProt Database Links SUCHY_HUMAN; SUCHY_MOUSE; SUCHY_RAT ChEBI
Patent Database Links US2004097593; WO2005123686 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HMDH-1-E HMG-CoA Reductase (cluster #1 Of 2), Eukaryotic Eukaryotes 4000 0.69 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HMDH_HUMAN P04035 HMG-CoA Reductase, Human 23.5 0.97 Binding ≤ 1μM
HMDH_HUMAN P04035 HMG-CoA Reductase, Human 23.5 0.97 Binding ≤ 10μM

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