General
Preferred name
PMID24157366C35
Synonyms
Cyclohexane carboxamide derivative 1 ()
compound 35 [PMID: 24157366] ()
P&D ID
PD046893
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 This a tool compound reported as a prolylcarboxypeptidase (PRCP) inhibitor . Additional structure-activity relationship (SAR) information for this (Example 12) and related compounds is provided in patent US8669252 B2 . Prolylcarboxypeptidase is being investigated as a novel target for anti-obesity therapeutics due to its role in regulating metabolism. (GtoPdb)
Cell lines
0
Organisms
1
Compound Sets
2
DrugMAP
DMWUZP1
DMN3WID
Guide to Pharmacology
8554
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
585.12
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
3
cLogP
6.13
TPSA
54.46
Fraction CSP3
0.38
Chiral centers
4.0
Largest ring
6.0
QED
0.35
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data