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Compound Detail

CHEMBL1541803

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O=C(CN1C(=O)C2CC=C(Cl)CC2C1=O)NCc1ccccc1

Basic Information

ChEMBL ID CHEMBL1541803
Phase Preclinical
Structure Type MOL
InChI Key YSGCOZBFQCLQTM-UHFFFAOYSA-N
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

332.8
MW (Da)
1.82
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClN2O3
MW 332.79
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.10

Activity Summary

EC50 2 meas. best 4.61
IC50 2 meas. best 5.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.11 5.11 7718.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.61 4.61 24678.0 1
Protein Rev
CHEMBL1293282
IC50 4.59 4.59 25752.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.47 4.47 34144.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine