General
Preferred name
AC45594
Synonyms
4-Heptyloxyphenol ()
AC 45594 ()
4-(Heptyloxy)phenol ()
P&D ID
PD046112
CAS
13037-86-0
Tags
natural product
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
AC 45594 is a selective inverse agonist at the orphan nuclear receptor steroidogenic factor-1 (SF-1) (IC50= 50 - 100 nM) that increases the secretion of progesterone and oxytocin and the expression of oxytocin precursor (NP-I/OT) mRNA in luteal cells.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
BOC Sciences Bioactive Compounds
Guide to Pharmacology
Mcule NIBR MoA Box Subset
Novartis Chemogenetic Library (NIBR MoA Box)
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Molecular Weight
208.15
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
7
Ring Count
1
Aromatic Ring Count
1
cLogP
3.74
TPSA
29.46
Fraction CSP3
0.54
Chiral centers
0.0
Largest ring
6.0
QED
0.69
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
steroidogenic factor 1
Member status
member
MOA
steroidogenic factor inhibitor
Source data
