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Compound Detail

CHEMBL5958499

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CC1(c2c(NC(=O)Nc3ccnc(C(F)(F)F)c3)cnc3cc(Cl)nn23)CC1

Basic Information

ChEMBL ID CHEMBL5958499
Phase Preclinical
Structure Type MOL
InChI Key UTJCDQJNRCFOGM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.8
MW (Da)
4.49
ALogP
5
HBA
2
HBD
84.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14ClF3N6O
MW 410.79
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.36

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