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Compound Detail

CHEMBL250484

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Cc1ccc2c(n1)C(=O)C(NC(=O)CCc1ccccc1)=CC2=O

Basic Information

ChEMBL ID CHEMBL250484
Phase Preclinical
Structure Type MOL
InChI Key ZZRNURLMNSFHLP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
2.40
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.94
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 C19H16N2O3
MW 320.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.03

Activity Summary

IC50 1 meas. best 5.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
P388
CHEMBL389
IC50 5.84 5.84 1440.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
P388 IC50 = 1440.0 nM 5.84 Antiproliferative activity against mouse P388 cells by MTT assay 17904844

Literature References

PubMed DOI Target Context # Activities
17904844 10.1016/j.bmcl.2007.09.040 P388 1
17904844 10.1016/j.bmcl.2007.09.040 SK-N-MC 1
17904844 10.1016/j.bmcl.2007.09.040 No relevant target 1

Data from ChEMBL 36 via Core Engine