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Compound Detail

CHEMBL4782908

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Cc1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2ccccc12

Basic Information

ChEMBL ID CHEMBL4782908
Phase Preclinical
Structure Type MOL
InChI Key MIBXENSQLRBLTQ-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.8
MW (Da)
3.82
ALogP
6
HBA
2
HBD
97.6
PSA (Ų)
0.56
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 C18H14ClN7O
MW 379.81
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.86

Activity Summary

EC50 1 meas. best 5.14
IC50 1 meas. best 6.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
CHEMBL3632452
IC50 6.62 6.62 237.0 1
OCI-Ly3
CHEMBL4523565
EC50 5.14 5.14 7170.0 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