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Compound Detail

CHEMBL5878001

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CN(C)c1cccnc1-c1nc2cc(OC(F)(F)F)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5878001
Phase Preclinical
Structure Type MOL
InChI Key JVUMEASODBNHJY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
3.59
ALogP
4
HBA
1
HBD
54.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13F3N4O
MW 322.29
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.34

Activity Summary

IC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Runt-related transcription factor 1
CHEMBL1615385
 IC50 5.3 5.3 4970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Runt-related transcription factor 1 IC50 = 4970.0 nM 5.3 Fluorescence Resonance Energy Transfer (FRET) Assay: FRET assay can be used to e... -

Data from ChEMBL 36 via Core Engine