General
Preferred name
PK 11195
Synonyms
PK11195 ()
RP 52028 ()
Isoquinoline carboxamide derivative 1 ()
PK-11195 ()
P&D ID
PD015358
CAS
85532-75-8
85340-56-3
Tags
available
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 PK 11195 (RP 52028) is a ligand of translocator protein (TSPO), which targets Leishmania chemotherapy, with IC50s of 14.2 ¦ÌM, 8.2 ¦ÌM, 3.5 ¦ÌM for L. amazonensis, L. major and L. braziliensis, respectively.
PRICE 155
DESCRIPTION Peripheral benzodiazepine receptor antagonist (LOPAC library)
DESCRIPTION PK 11195 has high affinity for the peripheral benzodiazepine receptor (PBR, TSPO) without binding to other known neurotransmitter receptors. It can also inhibit the human constitutive androstane receptor (hCAR). In Mar 2006, Preclinical for Cancer in United Kingdom was discontinued. (BOC Sciences Bioactive Compounds)
DESCRIPTION Antagonist at peripheral benzodiazepine receptors (Tocriscreen Plus)
DESCRIPTION Antagonist at peripheral benzodiazepine receptors (Tocriscreen Total)
DESCRIPTION PK 11195 (RP 52028) is a TSPO ligand for neuroimaging that exhibits significant protection against CoCl2-induced alterations and can be used to study leishmaniasis. (TargetMol Bioactive Compound Library)
DESCRIPTION Adenosine transport inhibitor (Tocris Bioactive Compound Library)
Cell lines
6
Organisms
2
Compound Sets
15
Axon Medchem Screening Library
1208
BOC Sciences Bioactive Compounds
pk-11195-cas-85532-75-8-item-139215
Cayman Chemical Bioactives
10525
DrugMAP
DMOAY3Q
DMDOZPU
DrugMatrix
Guide to Pharmacology
8703
Ki Database
PK11195
LOPAC library
MedChem Express Bioactive Compound Library
HY-19567
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
TargetMol Bioactive Compound Library
T16546
Tocris Bioactive Compound Library
0670
Tocriscreen Plus
0670
Tocriscreen Total
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
352.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
3
cLogP
5.43
TPSA
33.2
Fraction CSP3
0.24
Chiral centers
1.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Ion Channels
Selectivity
Benzodiazepine
Target
Parasite
BZD antagonist
Primary Target
Translocator Protein
MOA
Ligand
Peripheral Benzodiazepine Receptor (PBR) Antagonists
Pregnane X Receptor (PXR) Agonists
Constitutive Androstane Receptor (CAR) Antagonists
Member status
member
Pathway
Microbiology/virology
Anti-infection
Solubility
ethanol to 50 mM<br/>DMSO to 50 mM
Source data