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Compound Detail

CHEMBL4783451

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CC(C)c1ncncc1NC(=O)Nc1cnc(-n2nccn2)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL4783451
Phase Preclinical
Structure Type MOL
InChI Key GOWKQESOXAJXIS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

358.8
MW (Da)
2.87
ALogP
7
HBA
2
HBD
110.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15ClN8O
MW 358.79
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.86

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
CHEMBL3632452
IC50 5.7 5.7 1980.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31129051 10.1016/j.bmcl.2019.05.040 Mucosa-associated lymphoid tissue lymphoma translocation protein 1 1
31129051 10.1016/j.bmcl.2019.05.040 OCI-Ly3 1

Data from ChEMBL 36 via Core Engine