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Compound Detail

CHEMBL6053448

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C[C@]1(CC#N)COc2cc(N3CCOCC3)c(NC(=O)c3cnn4cccnc34)cc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6053448
Phase Preclinical
Structure Type MOL
InChI Key ZLQJLWJQYWGSDK-HSZRJFAPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
2.67
ALogP
8
HBA
1
HBD
104.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N6O3
MW 432.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.40

Activity Summary

Ki 1 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
 Ki 8.96 8.96 1.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-1 receptor-associated kinase 4 Ki = 1.1 nM 8.96 Biological Assay: Kinase activities were assayed using the Transcreener-Fluorece... -

Data from ChEMBL 36 via Core Engine