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Compound Detail

CHEMBL5805040

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Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCOCC3)c2)c1

Basic Information

ChEMBL ID CHEMBL5805040
Phase Preclinical
Structure Type MOL
InChI Key PZLCRPHXNQWSFZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
3.73
ALogP
6
HBA
2
HBD
81.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N5O2
MW 417.51
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 2
CHEMBL5014
IC50 8.89 8.89 1.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine