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Compound Detail

CHEMBL5807017

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CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(C3CC3)cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5807017
Phase Preclinical
Structure Type MOL
InChI Key FFOWDZMAOWXSLI-LJQANCHMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
2.92
ALogP
6
HBA
2
HBD
99.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24FN5O3
MW 437.48
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.97

Activity Summary

Ki 1 meas. best 9.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
 Ki 9.21 9.21 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-1 receptor-associated kinase 4 Ki = 0.61 nM 9.21 Biological Assay: Kinase activities were assayed using the Transcreener-Fluorece... -

Data from ChEMBL 36 via Core Engine