General
Preferred name
CFTRinh-172
Synonyms
CFTRinh-172 ()
P&D ID
PD046758
CAS
307510-92-5
Tags
available
drug candidate
Drug indication
Discovery agent
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 ]]
Compound Sets
6
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
409.01
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
2
cLogP
4.81
TPSA
57.61
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.58
Structural alerts
1
ene_rhod_A(235)
[#7]-1-[#6](=[#16])-[#16]-[#6](=[#6])-[#6]-1=[#8]
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Source data
