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Compound Detail

CHEMBL1340701

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CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(CC(C)c3ccccc3)o2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1340701
Phase Preclinical
Structure Type MOL
InChI Key QVZZYLFPFCGQLO-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
4.51
ALogP
7
HBA
1
HBD
98.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N3O4S
MW 427.53
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.69

Activity Summary

EC50 1 meas. best 4.11
IC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alkaline phosphatase, germ cell type
CHEMBL3402
 EC50 4.11 4.11 78500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alkaline phosphatase, germ cell type EC50 = 78500.0 nM 4.11 PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... -

Data from ChEMBL 36 via Core Engine