UCSF

ZINC36338585

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 20 No

Popular Name: Palmoxirate sodium Palmoxirate sodium

Find On: PubMed — Wikipedia — Google

CAS Number: 79069-97-9

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) 6.46 11.59 -46.98 0 3 -1 53 283.432 14 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CPT1A-1-E Carnitine Palmitoyltransferase 1A (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.52 Binding ≤ 10μM
Q9MYX2-1-E Carnitine Palmitoyltransferase 1A (cluster #1 Of 1), Eukaryotic Eukaryotes 900 0.42 Binding ≤ 10μM
Z50597-7-O Rattus Norvegicus (cluster #7 Of 12), Other Other 1000 0.42 Functional ≤ 10μM
Z50597-7-O Rattus Norvegicus (cluster #7 Of 12), Other Other 1200 0.41 Functional ≤ 10μM
Z50597-7-O Rattus Norvegicus (cluster #7 Of 12), Other Other 2200 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CPT1A_RAT P32198 Carnitine Palmitoyltransferase 1A, Rat 40 0.52 Binding ≤ 1μM
Q9MYX2_PIG Q9MYX2 Carnitine Palmitoyltransferase 1A, Pig 900 0.42 Binding ≤ 1μM
Q9MYX2_PIG Q9MYX2 Carnitine Palmitoyltransferase 1A, Pig 900 0.42 Binding ≤ 10μM
CPT1A_RAT P32198 Carnitine Palmitoyltransferase 1A, Rat 40 0.52 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 2200 0.40 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Import of palmitoyl-CoA into the mitochondrial matrix
PPARA activates gene expression
RORA activates circadian gene expression

Rings

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