UCSF

ZINC36338586

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 21 No

Popular Name: MCN-3716 MCN-3716

Find On: PubMed — Wikipedia — Google

CAS Number: 69207-52-9

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) 7.07 11.66 -5.99 0 3 0 39 298.467 15 ↓

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 0.49 Binding ≤ 10μM
CPT1A-1-E Carnitine Palmitoyltransferase 1A (cluster #1 Of 1), Eukaryotic Eukaryotes 90 0.47 Binding ≤ 10μM
Q9MYX2-1-E Carnitine Palmitoyltransferase 1A (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.43 Binding ≤ 10μM
Z50597-7-O Rattus Norvegicus (cluster #7 Of 12), Other Other 2000 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9MYX2_PIG Q9MYX2 Carnitine Palmitoyltransferase 1A, Pig 300 0.43 Binding ≤ 1μM
CPT1A_RAT P32198 Carnitine Palmitoyltransferase 1A, Rat 90 0.47 Binding ≤ 1μM
Q9MYX2_PIG Q9MYX2 Carnitine Palmitoyltransferase 1A, Pig 300 0.43 Binding ≤ 10μM
CPT1A_RAT P32198 Carnitine Palmitoyltransferase 1A, Rat 90 0.47 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 2000 0.38 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% )