Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5193844

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCC[C@H]1C(=O)C[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)C[C@@H](C)[C@@H]1OC(=O)CC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5193844
Phase Preclinical
Structure Type MOL
InChI Key QGAHUKBERHKJQC-ORJLWCBESA-N
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

516.6
MW (Da)
4.03
ALogP
7
HBA
3
HBD
138.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H40N2O7
MW 516.64
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness 0.62

Activity Summary

IC50 7 meas. best 5.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
BCL2L10/BID
CHEMBL5169272
 IC50 5.74 5.74 1830.0 1
Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist
CHEMBL3430886
 IC50 5.6 5.6 2510.0 2
Bcl-xL/BH3-interacting domain death agonist
CHEMBL3883285
 IC50 5.57 5.57 2700.0 1
Unchecked
CHEMBL612545
 IC50 5.57 5.57 2700.0 1
BCL2/BID
CHEMBL5169265
 IC50 5.53 5.53 2950.0 1
BCL2L2/BID
CHEMBL5169271
 IC50 5.34 5.34 4570.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
BCL2L10/BID IC50 = 1830.0 nM 5.74 Inhibition of Bcl-B (unknown origin)/ human Bid by fluorescence polarization ass... 33333396
Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist IC50 = 2510.0 nM 5.6 Inhibition of Mcl-1/Bid (unknown origin) by fluorescence polarization assay 33333396
Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist IC50 = 2510.0 nM 5.6 Inhibition of Mcl-1(unknown origin)/ human Bid by fluorescence polarization assa... 33333396
Bcl-xL/BH3-interacting domain death agonist IC50 = 2700.0 nM 5.57 Inhibition of Bcl-xL/Bid (unknown origin) by fluorescence polarization assay 33333396
Unchecked IC50 = 2700.0 nM 5.57 Inhibition of mouse Bcl-xL/ human Bid by fluorescence polarization assay 33333396
BCL2/BID IC50 = 2950.0 nM 5.53 Inhibition of Bcl-2 (unknown origin)/ human Bid by fluorescence polarization ass... 33333396
BCL2L2/BID IC50 = 4570.0 nM 5.34 Inhibition of Bcl-W(unknown origin)/ human Bid by fluorescence polarization assa... 33333396

Literature References

PubMed DOI Target Context # Activities
33333396 10.1016/j.ejmech.2020.113038 Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist 2
33333396 10.1016/j.ejmech.2020.113038 Bcl-2-related protein A1 1
33333396 10.1016/j.ejmech.2020.113038 Bcl-xL/BH3-interacting domain death agonist 1
33333396 10.1016/j.ejmech.2020.113038 Unchecked 1
33333396 10.1016/j.ejmech.2020.113038 BCL2/BID 1
33333396 10.1016/j.ejmech.2020.113038 BCL2L2/BID 1
33333396 10.1016/j.ejmech.2020.113038 BCL2L10/BID 1
33333396 10.1016/j.ejmech.2020.113038 BCL2A1/BID 1

Data from ChEMBL 36 via Core Engine