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Compound Detail

CHEMBL5613798

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CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)c(Cl)c4)n3)c2c1

Basic Information

ChEMBL ID CHEMBL5613798
Phase Preclinical
Structure Type MOL
InChI Key FBGMOMHSZPGENZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

407.9
MW (Da)
4.65
ALogP
6
HBA
2
HBD
92.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18ClN5O2
MW 407.86
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.57

Activity Summary

IC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.58 6.58 260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 260.0 nM 6.58 Inhibition of Nano Luc-fused CSNK2A (unknown origin) expressed in HEK293 cells u... 38199328

Literature References

PubMed DOI Target Context # Activities
38199328 10.1016/j.bmcl.2024.129617 Unchecked 1
38199328 10.1016/j.bmcl.2024.129617 Serine/threonine-protein kinase pim-3 1

Data from ChEMBL 36 via Core Engine