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Compound Detail

CHEMBL5851139

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CNc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)c1

Basic Information

ChEMBL ID CHEMBL5851139
Phase Preclinical
Structure Type MOL
InChI Key IJSBHWGQRBMSLU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
3.18
ALogP
5
HBA
2
HBD
71.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N5O
MW 347.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.72

Activity Summary

IC50 1 meas. best 8.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 2
CHEMBL5014
IC50 8.59 8.59 2.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine