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Compound Detail

CHEMBL1911510

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O=C(OCN1C(=O)CCC(N2C(=O)c3ccccc3C2=O)C1=O)c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1911510
Phase Preclinical
Structure Type MOL
InChI Key DVFBXFLNHCVWDN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

393.4
MW (Da)
1.01
ALogP
7
HBA
0
HBD
114.0
PSA (Ų)
0.56
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 C20H15N3O6
MW 393.36
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.65

Activity Summary

IC50 1 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ECV-304
CHEMBL614035
 IC50 6.92 6.92 120.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ECV-304 IC50 = 120.0 nM 6.92 Antiproliferative activity against human ECV304 cells assessed as growth inhibit... 21963304

Literature References

PubMed DOI Target Context # Activities
21963304 10.1016/j.bmcl.2011.09.026 ECV-304 2
21963304 10.1016/j.bmcl.2011.09.026 HUVEC 1

Data from ChEMBL 36 via Core Engine