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Compound Detail

CHEMBL4760425

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CCOC(=O)c1c(Cl)c2c(n1Cc1ccccc1)-c1oncc1CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4760425
Phase Preclinical
Structure Type MOL
InChI Key XFRCWADOUXNVLL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

370.8
MW (Da)
4.51
ALogP
5
HBA
0
HBD
57.3
PSA (Ų)
0.63
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 C20H19ClN2O3
MW 370.84
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.01

Activity Summary

IC50 1 meas. best 5.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SU-DHL10
CHEMBL4483268
 IC50 5.05 5.05 9000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SU-DHL10 IC50 = 9000.0 nM 5.05 Antiproliferative activity against human SU-DHL-10 cells assessed as reduction i... 32986419

Literature References

PubMed DOI Target Context # Activities
32986419 10.1021/acs.jmedchem.0c01315 Unchecked 8
32986419 10.1021/acs.jmedchem.0c01315 SU-DHL10 2
32986419 10.1021/acs.jmedchem.0c01315 SW-620 1
32986419 10.1021/acs.jmedchem.0c01315 MDA-MB-435 1
32986419 10.1021/acs.jmedchem.0c01315 SK-MEL-5 1
32986419 10.1021/acs.jmedchem.0c01315 IGROV-1 1
32986419 10.1021/acs.jmedchem.0c01315 UACC-62 1
32986419 10.1021/acs.jmedchem.0c01315 OVCAR-3 1
32986419 10.1021/acs.jmedchem.0c01315 OVCAR-5 1
32986419 10.1021/acs.jmedchem.0c01315 NCI/ADR-RES 1
32986419 10.1021/acs.jmedchem.0c01315 SK-OV-3 1
32986419 10.1021/acs.jmedchem.0c01315 A498 1
32986419 10.1021/acs.jmedchem.0c01315 ACHN 1
32986419 10.1021/acs.jmedchem.0c01315 CAKI-1 1
32986419 10.1021/acs.jmedchem.0c01315 TK-10 1
32986419 10.1021/acs.jmedchem.0c01315 PC-3 1
32986419 10.1021/acs.jmedchem.0c01315 MCF7 1
32986419 10.1021/acs.jmedchem.0c01315 DU-145 1
32986419 10.1021/acs.jmedchem.0c01315 MDA-MB-231 1
32986419 10.1021/acs.jmedchem.0c01315 T47D 1

Data from ChEMBL 36 via Core Engine