General
Preferred name
CTA091
Synonyms
P&D ID
PD051452
Tags
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
Compound 3a is a vitamin D analogue designed to be a less calcemic inhibitor of cytochrome P450 enyme CYP24A1 . CYP24A1 regulates vitamin D levels and calcium homeostasis by initiating the degradation of physiologically active 1,25-dihydroxyvitamin D3 .
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Molecular Weight
483.28
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
1
cLogP
6.26
TPSA
81.38
Fraction CSP3
0.59
Chiral centers
7.0
Largest ring
6.0
QED
0.45
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
