General
Preferred name
Leelamine
Synonyms
18-AMINOABIETA-8,11,13-TRIENE SULFATE ()
Lylamine hydrochloride ()
NSC-2955 ()
NSC 2955 ()
Dehydroabietylamine ()
NSC2955 ()
Leelamine free base ()
Leelamine (hydrochloride) ()
Leelamine hydrochloride ()
Dehydroabiethylamine ()
P&D ID
PD029247
CAS
24978-68-5
1446-61-3
2026-24-6
16496-99-4
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Leelamine hydrochloride is a tricyclic diterpene molecule that is extracted from the bark of pine trees[1]. Leelamine hydrochloride is a cannabinoid receptor type 1 (CB1) agonist and a inhibitor of SREBP1-regulated fatty acid/lipid synthesis in prostate cancer cells that is not affected by androgen receptor status. Leelamine hydrochloride suppresses transcriptional activity of androgen receptor, which is known to regulate fatty acid synthesis[2,3].
DESCRIPTION
Leelamine is an orally active pyruvate dehydrogenase kinase (PDK) inhibitor with an IC50 value of 9.5 ¦ÌM, showing a blood glucose lowering effect in the diabetic mouse. Leelamine is also a weak agonist of cannabinoid receptors CB1 and CB2. Leelamine decreases mitotic activity, prostate-specific antigen expression and induces Apoptosis to cell death in cancer cells[1][2][3].
PRICE
29
DESCRIPTION
CB1 agonist
(Tocriscreen Total)
DESCRIPTION
Leelamine is a diterpene amine exhibiting low affinity for the human central cannabinoid (CB1) and peripheral cannabinoid (CB2) receptors. It also acts as an inhibitor of pyruvate dehydrogenase kinase (PDK). Leelamine inhibits intracellular cholesterol transport and suppresses cancer cell growth.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
Leelamine inhibits pyruvate dehydrogenase kinase.
(Enamine Bioactive Compounds)
DESCRIPTION
Dehydroabiethylamine (NSC-2955) is an inducer of hepatic CYP2B activity. Dehydroabiethylamine inhibits pyruvate dehydrogenase kinases (PDKs) and intracellular cholesterol transport with anti-tumor activity.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
15
Organisms
1
Compound Sets
9
BOC Sciences Bioactive Compounds
Drug Repurposing Hub
Enamine Bioactive Compounds
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
66
Molecular Weight
285.25
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
1
cLogP
4.78
TPSA
26.02
Fraction CSP3
0.7
Chiral centers
3.0
Largest ring
6.0
QED
0.83
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
PDK
CYP2B
CNR1
Cannabinoid Receptor
PDK-1
Androgen Receptor
Fatty Acid Synthase (FASN)
MOA
Cannabinoid Receptor agonist
Pathway
Metabolism
PI3K/Akt/mTOR signaling
GPCR/G protein
Metabolic Enzyme/Protease
Neuronal Signaling
Vitamin D Related/Nuclear Receptor
PI3K/Akt/mTOR
Source data
