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Compound Detail

CHEMBL5774824

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Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OCC3CCN(C)C3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5774824
Phase Preclinical
Structure Type MOL
InChI Key HSADOPRBLMFIQN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
3.60
ALogP
6
HBA
1
HBD
72.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28FN5O2
MW 449.53
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.84

Activity Summary

IC50 1 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 2
CHEMBL5014
 IC50 8.74 8.74 1.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-interacting serine/threonine-protein kinase 2 IC50 = 1.8 nM 8.74 V9103X ADP-Glo Kinase Assay Custom: In a 384-well plate, test compound diluted i... -

Data from ChEMBL 36 via Core Engine