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Compound Detail

CHEMBL6030757

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FC(F)(F)Oc1ccc2[nH]c(-c3ccc(OCCN4CCN(Cc5ccccc5)CC4)cn3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6030757
Phase Preclinical
Structure Type MOL
InChI Key HUTFNFMGRNFVCG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

497.5
MW (Da)
4.72
ALogP
6
HBA
1
HBD
66.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26F3N5O2
MW 497.52
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Runt-related transcription factor 1
CHEMBL1615385
 IC50 5.58 5.58 2650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Runt-related transcription factor 1 IC50 = 2650.0 nM 5.58 Fluorescence Resonance Energy Transfer (FRET) Assay: FRET assay can be used to e... -

Data from ChEMBL 36 via Core Engine