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Compound Detail

CHEMBL5739592

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C[C@]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCC(F)(CO)CC3)cc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5739592
Phase Preclinical
Structure Type MOL
InChI Key XQCGRWQJQSYMGC-JOCHJYFZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.5
MW (Da)
1.97
ALogP
8
HBA
3
HBD
112.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26FN5O4
MW 455.49
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.76

Activity Summary

Ki 1 meas. best 8.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
 Ki 8.77 8.77 1.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-1 receptor-associated kinase 4 Ki = 1.7 nM 8.77 Biological Assay: Kinase activities were assayed using the Transcreener-Fluorece... -

Data from ChEMBL 36 via Core Engine