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Compound Detail

CHEMBL5574840

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Cc1ncc2c(C(=O)N3CCn4ncnc4C3)c(N)n(-c3c(C)ccc(O)c3C)c2n1

Basic Information

ChEMBL ID CHEMBL5574840
Phase Preclinical
Structure Type MOL
InChI Key DUNPLBXFZIMEHK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
1.88
ALogP
9
HBA
2
HBD
128.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N8O2
MW 418.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.20

Activity Summary

IC50 1 meas. best 6.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myelin transcription factor 1
CHEMBL2331044
IC50 6.65 6.65 222.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38146659 10.1021/acs.jmedchem.3c01476 Myelin transcription factor 1 1
38146659 10.1021/acs.jmedchem.3c01476 Wee1-like protein kinase 1

Data from ChEMBL 36 via Core Engine