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Compound Detail

CHEMBL5073130

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Clc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(OCCCCCCN3CCCCC3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5073130
Phase Preclinical
Structure Type MOL
InChI Key SWAMCGGSZRFOSG-YHZPTAEISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

518.2
MW (Da)
9.02
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.29
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H44ClNO
MW 518.19
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.63

Activity Summary

IC50 1 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
 IC50 5.36 5.36 4400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MCF7 IC50 = 4400.0 nM 5.36 Antiproliferative activity against human MCF7 cells measured by WST-1 assay -

Data from ChEMBL 36 via Core Engine