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Compound Detail

CHEMBL1473197

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O=S(=O)(Nc1cc(O)cc2cccnc12)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1473197
Phase Preclinical
Structure Type MOL
InChI Key VIILSDIQZZYZGM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
2.88
ALogP
4
HBA
2
HBD
79.3
PSA (Ų)
0.78
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 C15H11FN2O3S
MW 318.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.30

Activity Summary

IC50 1 meas. best 4.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Heat shock protein HSP90
CHEMBL2095165
 IC50 4.95 4.95 11173.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Heat shock protein HSP90 IC50 = 11173.24 nM 4.95 PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... -

Data from ChEMBL 36 via Core Engine