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Compound Detail

CHEMBL5918941

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CO[C@@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(Cl)c2)cnc2cc(C#N)nn12

Basic Information

ChEMBL ID CHEMBL5918941
Phase Preclinical
Structure Type MOL
InChI Key REOCUHWFBYKLGM-JTQLQIEISA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.8
MW (Da)
2.58
ALogP
10
HBA
2
HBD
147.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15ClN10O2
MW 438.84
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.00

Activity Summary

IC50 2 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
CHEMBL3632452
IC50 11.0 11.0 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine