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Compound Detail

CHEMBL6052358

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Cc1ccc(Cn2nc3n(c2=O)C(C(=O)N2CCCC2)CN(C)C3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6052358
Phase Preclinical
Structure Type MOL
InChI Key QBWRGTWFIDSGTJ-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
1.01
ALogP
6
HBA
0
HBD
63.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25N5O2
MW 355.44
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.34

Activity Summary

IC50 3 meas. best 9.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl endopeptidase
CHEMBL3202
 IC50 9.66 8.6433 0.2 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prolyl endopeptidase IC50 = 0.22 nM 9.66 Pharmacological Activity Assay: To recombinant full-length human prolyl endopept... -
Prolyl endopeptidase IC50 = 0.37 nM 9.43 Pharmacological Activity Assay: To recombinant full-length human prolyl endopept... -
Prolyl endopeptidase IC50 = 146.0 nM 6.84 Pharmacological Activity Assay: To recombinant full-length human prolyl endopept... -

Data from ChEMBL 36 via Core Engine