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Compound Detail

CHEMBL1495503

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Cc1ccc(S(=O)(=O)Nc2cc3c(C(=O)Nc4ccccc4)c(C)oc3c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1495503
Phase Preclinical
Structure Type MOL
InChI Key IETKQVDKLVANEI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
6.26
ALogP
4
HBA
2
HBD
88.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22N2O4S
MW 470.55
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.32

Activity Summary

IC50 1 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
 IC50 6.14 6.14 725.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Female germline-specific tumor suppressor gld-1 IC50 = 725.27 nM 6.14 PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... -

Data from ChEMBL 36 via Core Engine