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Compound Detail

CHEMBL3718551

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Fc1cccc2c1CCNC2c1sc2ccccc2c1Cl

Basic Information

ChEMBL ID CHEMBL3718551
Phase Preclinical
Structure Type MOL
InChI Key OYWAPQPTXMNVRW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

317.8
MW (Da)
4.93
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClFNS
MW 317.82
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 5.38 5.38 4180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 4180.0 nM 5.38 Antiproliferative activity against human WERI cells assessed as inhibition of ce... -

Data from ChEMBL 36 via Core Engine