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Compound Detail

CHEMBL1971760

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C/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccc[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1971760
Phase Preclinical
Structure Type MOL
InChI Key OBQAXIYHLNHMPE-GSICKLFPSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
3.10
ALogP
4
HBA
1
HBD
45.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13FN4S
MW 300.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.69

Activity Summary

IC50 4 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Jurkat
CHEMBL397
 IC50 6.42 6.42 380.0 1
Unchecked
CHEMBL612545
 IC50 6.15 5.4567 702.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Jurkat IC50 = 380.0 nM 6.42 PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of b... -
Unchecked IC50 = 702.0 nM 6.15 PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of both... -
Unchecked IC50 = 1210.0 nM 5.92 PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of bot... -
Unchecked IC50 = 50617.0 nM 4.3 PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... -

Data from ChEMBL 36 via Core Engine