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Compound Detail

CHEMBL5079625

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COc1ccc(-c2cc(Nc3ccnc(N4CCC(F)(F)CC4)n3)on2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5079625
Phase Preclinical
Structure Type MOL
InChI Key NJOXSEBFDQGIHQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
4.12
ALogP
7
HBA
1
HBD
76.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19F2N5O2
MW 387.39
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.47

Activity Summary

IC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
JIMT-1
CHEMBL4296443
 IC50 6.43 6.43 370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
JIMT-1 IC50 = 370.0 nM 6.43 Antiproliferative activity against human JIMT-1 cells after 72 hrs by SRB assay -

Data from ChEMBL 36 via Core Engine