General
Preferred name
NK3201
Synonyms
P&D ID
PD049916
CAS
204460-24-2
Tags
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Chymase inhibitor
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Molecular Weight
567.21
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
2
Rotatable Bonds
15
Ring Count
4
Aromatic Ring Count
4
cLogP
2.6
TPSA
149.35
Fraction CSP3
0.19
Chiral centers
1.0
Largest ring
6.0
QED
0.13
Structural alerts
1
imine_one_A(321)
[#6]-[#6](=[!#6&!#1;!R])-[#6](=[!#6&!#1;!R])-[$([#6]),$([#16](=[#8])=[#8])]
PAINS Family A
Related compounds
Custom attributes
(extracted from source data)
Source data
