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Compound Detail

CHEMBL5631753

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COc1cc2c(cn1)N(C)C(=O)[C@H](C(=O)Nc1ncc(Cc3ccccc3)s1)CC2

Basic Information

ChEMBL ID CHEMBL5631753
Phase Preclinical
Structure Type MOL
InChI Key CWVBFSQTTNHODF-KRWDZBQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
3.30
ALogP
6
HBA
1
HBD
84.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O3S
MW 422.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.46

Activity Summary

Ki 1 meas. best 5.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
Ki 5.84 5.84 1445.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38316369 10.1016/j.bmcl.2024.129643 Receptor-interacting serine/threonine-protein kinase 1 2
38316369 10.1016/j.bmcl.2024.129643 Mitogen-activated protein kinase kinase kinase 9 1

Data from ChEMBL 36 via Core Engine