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Compound Detail

CHEMBL1336276

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O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1336276
Phase Preclinical
Structure Type MOL
InChI Key FSCMZNAQWXOIND-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
1.83
ALogP
6
HBA
1
HBD
101.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20FN3O5S
MW 433.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -2.29

Activity Summary

EC50 1 meas. best 6.34
IC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alkaline phosphatase, germ cell type
CHEMBL3402
 EC50 6.34 6.34 457.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alkaline phosphatase, germ cell type EC50 = 457.0 nM 6.34 PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... -

Data from ChEMBL 36 via Core Engine