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Compound Detail

CHEMBL4520816

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CC(=O)OCOC(=O)c1ccccc1N1CCN(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4520816
Phase Preclinical
Structure Type MOL
InChI Key BURHNQCUPNVATH-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
1.12
ALogP
6
HBA
0
HBD
59.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N2O4
MW 292.34
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.44

Activity Summary

EC50 2 meas. best 4.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NCI-H2171
CHEMBL2366213
 EC50 4.08 4.08 84100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NCI-H2171 EC50 = 84100.0 nM 4.08 Cytotoxic activity against human NCI-H2171 cells assessed as reduction in cell v... -

Data from ChEMBL 36 via Core Engine