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Compound Detail

CHEMBL5985777

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CO[C@@H](C)c1c(NC(=O)Nc2ccnc(C#N)c2)cnc2cc(Cl)nn12

Basic Information

ChEMBL ID CHEMBL5985777
Phase Preclinical
Structure Type MOL
InChI Key YYXPSIFSSWGHRR-VIFPVBQESA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

371.8
MW (Da)
3.00
ALogP
7
HBA
2
HBD
117.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14ClN7O2
MW 371.79
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.82

Activity Summary

IC50 2 meas. best 10.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
CHEMBL3632452
IC50 10.96 10.96 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine