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Compound Detail

CHEMBL1456904

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Cn1c(=O)cc2c3c(c(N4CCCCC4)ccc31)C(=O)c1ccccc1-2

Basic Information

ChEMBL ID CHEMBL1456904
Phase Preclinical
Structure Type MOL
InChI Key ZMXVWFFEPNMQNW-UHFFFAOYSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
3.74
ALogP
4
HBA
0
HBD
42.3
PSA (Ų)
0.53
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 C22H20N2O2
MW 344.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.49

Activity Summary

IC50 2 meas. best 5.3
EC50 1 meas. best 4.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.3 5.3 4963.0 1
Protein Rev
CHEMBL1293282
IC50 4.85 4.85 14250.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.59 4.59 25949.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24785979 10.1021/jm500300r Unchecked 1

Data from ChEMBL 36 via Core Engine