Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex 54 Activities
Activity Type
Relation
Activity value
Units
Action Type
Journal
PubMed Id
doi
Assay Aladdin ID
Molecule Features
Natural Product: Yes
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Small molecule
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
Drug Indications
MESH ID
MESH Heading
EFO IDs
EFO Terms
Max Phase for Indication
References
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
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Target Organism
Binding Site Name
References
Properties
Molecular Weight: 299.29
Molecular Weight (Monoisotopic): 299.1018
AlogP: 0.05
#Rotatable Bonds: 2
Polar Surface Area: 91.90
Molecular Species: NEUTRAL
HBA: 8
HBD: 0
#RO5 Violations: 0
HBA (Lipinski): 8
HBD (Lipinski): 0
#RO5 Violations (Lipinski): 0
CX Acidic pKa:
CX Basic pKa:
CX LogP: 0.63
CX LogD: 0.63
Aromatic Rings: 1
Heavy Atoms: 22
QED Weighted: 0.66
Np Likeness Score: -0.98
References
1.PubChem BioAssay data set,
2.Zeller J, Turbiak AJ, Powelson IA, Lee S, Sun D, Showalter HD, Fearon ER.. (2013) Investigation of 3-aryl-pyrimido[5,4-e][1,2,4]triazine-5,7-diones as small molecule antagonists of β-catenin/TCF transcription., 23 (21):[PMID:24060489][10.1016/j.bmcl.2013.08.111]
3.Rana P, Naven R, Narayanan A, Will Y, Jones LH. (2013) Chemical motifs that redox cycle and their associated toxicity, 4 (8):[10.1039/C3MD00149K]
4. (2015) Compounds and methods for treating tuberculosis infection,
5.Letfus V, Jelić D, Bokulić A, Petrinić Grba A, Koštrun S.. (2020) Rational design, synthesis and biological profiling of new KDM4C inhibitors., 28 (1):[PMID:31784197][10.1016/j.bmc.2019.115128]
