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Compound Detail

CHEMBL5911071

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Cc1cnc2c(C(=O)Nc3cc4c(cc3N3CCC(CO)CC3)O[C@@](C)(CO)C4)cnn2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5911071
Phase Preclinical
Structure Type MOL
InChI Key PYLAWUUVOVWLLQ-XMMPIXPASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
2.18
ALogP
8
HBA
3
HBD
112.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N5O4
MW 451.53
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.63

Activity Summary

Ki 1 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
 Ki 8.64 8.64 2.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-1 receptor-associated kinase 4 Ki = 2.3 nM 8.64 Biological Assay: Kinase activities were assayed using the Transcreener-Fluorece... -

Data from ChEMBL 36 via Core Engine