General
Preferred name
N-DESMETHYLTAMOXIFEN
Synonyms
N-Desmethyltamoxifen (hydrochloride) ()
N-Desmethyl tamoxifen HCl ()
N-Desmethyltamoxifen hydrochloride ()
N-demethyltamoxifen ()
Desmethyltamoxifen ()
Demethyltamoxifen ()
Desmethyltamoxifen, n- ()
ICI-55548 ()
P&D ID
PD126104
CAS
15917-65-4
31750-48-8
Tags
available
drug candidate
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
N-Desmethyltamoxifen hydrochloride is the major metabolite of tamoxifen in humans. N-Desmethyltamoxifen, a poor antiestrogen, is a ten-fold more potent protein kinase C (PKC) inhibitor than Tamoxifen. N-Desmethyltamoxifen hydrochloride is also a potent regulator of ceramide metabolism in human AML cells, limiting ceramide glycosylation, hydrolysis, and sphingosine phosphorylation[1][2][3].
PRICE
59
DESCRIPTION
N-Desmethyltamoxifen hydrochloride is the primary metabolite of tamoxifen in humans.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
6
Cayman Chemical Bioactives
ChEMBL Drugs
MedChem Express Bioactive Compound Library
Other bioactive compounds
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Molecular Weight
357.21
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
8
Ring Count
3
Aromatic Ring Count
3
cLogP
5.65
TPSA
21.26
Fraction CSP3
0.2
Chiral centers
0.0
Largest ring
6.0
QED
0.42
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Estrogen Receptor/ERR
PKC
Drug Metabolite
Glucosylceramide Synthase,PKC
Pathway
Chromatin/Epigenetic
Cytoskeletal Signaling
Endocrinology/Hormones
Metabolism
Epigenetics
Metabolic Enzyme/Protease
TGF-beta/Smad
Vitamin D Related/Nuclear Receptor
Source data
