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Compound Detail

CHEMBL4799622

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O=C(Nc1cnc(-n2nccn2)c(Cl)c1)Nc1cncc2ccccc12

Basic Information

ChEMBL ID CHEMBL4799622
Phase Preclinical
Structure Type MOL
InChI Key AZAXOMNUXPXMKC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.8
MW (Da)
3.51
ALogP
6
HBA
2
HBD
97.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12ClN7O
MW 365.78
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.86

Activity Summary

IC50 1 meas. best 5.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
CHEMBL3632452
IC50 5.22 5.22 6020.0 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