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Compound Detail

CHEMBL1372869

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C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2scc(-c3ccc(F)cc3)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1372869
Phase Preclinical
Structure Type MOL
InChI Key FAXBMAQCAMCSRL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

509.6
MW (Da)
4.59
ALogP
8
HBA
1
HBD
82.5
PSA (Ų)
0.21
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20FN3O4S2
MW 509.58
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -2.08

Activity Summary

IC50 1 meas. best 4.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.16 4.16 68604.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 68604.0 nM 4.16 PubChem BioAssay. Dose response counterscreen for inhibitors of viability of lat... -

Data from ChEMBL 36 via Core Engine