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Compound Detail

CHEMBL1566518

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COc1ccc(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)cn1

Basic Information

ChEMBL ID CHEMBL1566518
Phase Preclinical
Structure Type MOL
InChI Key KRTJAUBGQCJGJM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.81
ALogP
5
HBA
1
HBD
81.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N2O4
MW 336.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.76

Activity Summary

IC50 2 meas. best 5.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.04 5.04 9102.0 1
Protein Rev
CHEMBL1293282
IC50 4.79 4.79 16416.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine