General
Preferred name
PMID22902653C35
Synonyms
compound 35 [PMID: 22902653] ()
P&D ID
PD051234
Tags
drug candidate
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Compound 35 was designed as an inhibitor of the LIM domain kinases LIMK1 and LIMK2 . Compound 35 exhibits selectivity for the LIMs over the testis-specific protein kinases (TESKs) . (GtoPdb)
Compound Sets
2
DrugMAP
DMLVKPG
Guide to Pharmacology
8119
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
472.03
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
4
cLogP
5.0
TPSA
102.78
Fraction CSP3
0.1
Chiral centers
0.0
Largest ring
6.0
QED
0.44
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data