General
Preferred name
ICI-164384
Synonyms
P&D ID
PD059455
CAS
98007-99-9
Tags
drug candidate
natural product
Drug indication
Breast cancer
Drug Status
experimental
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
525.42
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
14
Ring Count
4
Aromatic Ring Count
1
cLogP
7.99
TPSA
60.77
Fraction CSP3
0.79
Chiral centers
6.0
Largest ring
6.0
QED
0.24
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
