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Compound Detail

CHEMBL5861850

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COc1ccnc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5861850
Phase Preclinical
Structure Type MOL
InChI Key GEHMQBZQTNRVSG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

339.3
MW (Da)
3.54
ALogP
5
HBA
1
HBD
69.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12F3N3O3
MW 339.27
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.72

Activity Summary

IC50 1 meas. best 5.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Runt-related transcription factor 1
CHEMBL1615385
 IC50 5.76 5.76 1720.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Runt-related transcription factor 1 IC50 = 1720.0 nM 5.76 Fluorescence Resonance Energy Transfer (FRET) Assay: FRET assay can be used to e... -

Data from ChEMBL 36 via Core Engine