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Compound Detail

CHEMBL4742156

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CC(C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2ccccc12

Basic Information

ChEMBL ID CHEMBL4742156
Phase Preclinical
Structure Type MOL
InChI Key GOOLORJXTAGMCL-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

407.9
MW (Da)
4.63
ALogP
6
HBA
2
HBD
97.6
PSA (Ų)
0.51
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 C20H18ClN7O
MW 407.87
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.58

Activity Summary

EC50 1 meas. best 5.62
IC50 1 meas. best 7.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
CHEMBL3632452
IC50 7.11 7.11 78.0 1
OCI-Ly3
CHEMBL4523565
EC50 5.62 5.62 2420.0 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