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Compound Detail

CHEMBL3288406

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COc1ccc2oc(-c3ccccc3OCc3ccccc3)cc2c1CN1CCC(N(C)C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288406
Phase Preclinical
Structure Type MOL
InChI Key CCWBIJAJSVTIMH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
6.21
ALogP
5
HBA
0
HBD
38.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34N2O3
MW 470.61
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.51

Activity Summary

IC50 1 meas. best 6.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SQ20B
CHEMBL614939
 IC50 6.34 6.34 460.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SQ20B IC50 = 460.0 nM 6.34 Cytotoxicity against human SQ20B cells after 72 hrs by MTT assay 24836070

Literature References

PubMed DOI Target Context # Activities
24836070 10.1016/j.ejmech.2014.05.014 mTORC1 4
24836070 10.1016/j.ejmech.2014.05.014 SQ20B 1
24836070 10.1016/j.ejmech.2014.05.014 HOP-62 1
24836070 10.1016/j.ejmech.2014.05.014 COLO 205 1

Data from ChEMBL 36 via Core Engine