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Compound Detail

CHEMBL5899132

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

Basic Information

ChEMBL ID CHEMBL5899132
Phase Preclinical
Structure Type MOL
InChI Key QQEJFPKGJMGCFG-QHCPKHFHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
2.41
ALogP
8
HBA
2
HBD
115.8
PSA (Ų)
0.65
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 -1.01

Activity Summary

Ki 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
 Ki 8.7 8.61 2.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-1 receptor-associated kinase 4 Ki = 2.0 nM 8.7 Biological Assay: Kinase activities were assayed using the Transcreener-Fluorece... -
Interleukin-1 receptor-associated kinase 4 Ki = 3.0 nM 8.52 Biological Assay: Kinase activities were assayed using the Transcreener-Fluorece... -

Data from ChEMBL 36 via Core Engine