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

CHEMBL2152860

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
CC(=O)O[C@@H]([C@H]1C[C@@H](C)C2=C(O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2152860
Phase Preclinical
Structure Type MOL
InChI Key ZCSVUFHAYKXCBP-VHJINFGPSA-N
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

662.9
MW (Da)
3.60
ALogP
10
HBA
5
HBD
155.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C37H58O10
MW 662.86
Aromatic Rings 0
Heavy Atoms 47
NP-Likeness 2.77

Activity Summary

IC50 7 meas. best 7.41
EC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.41 6.71 39.0 7
Gamma-secretase
CHEMBL2094135
 EC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 39.0 nM 7.41 Inhibition of gamma-secretase-mediated amyloid beta-37 production in diluted 2B7... 24900406
Unchecked IC50 = 61.0 nM 7.21 Inhibition of gamma-secretase-mediated amyloid beta-38 production in diluted 2B7... 24900406
Unchecked IC50 = 61.0 nM 7.21 Modulation of gamma-secretase assessed as increase in amyloid beta 38 level by c... 23030762
Gamma-secretase EC50 = 100.0 nM 7.0 Modulation of gamma-secretase (unknown origin) assessed as reduction in amyloid ... 27007185
Unchecked IC50 = 100.0 nM 7.0 Inhibition of gamma-secretase-mediated amyloid beta-42 production in diluted 2B7... 24900406
Unchecked IC50 = 100.0 nM 7.0 Modulation of gamma-secretase assessed as reduction in amyloid beta 42 level by ... 23030762
Unchecked IC50 = 2700.0 nM 5.57 Inhibition of gamma-secretase-mediated amyloid beta-40 production in diluted 2B7... 24900406
Unchecked IC50 = 2700.0 nM 5.57 Modulation of gamma-secretase assessed as reduction in amyloid beta 40 level by ... 23030762

Literature References

PubMed DOI Target Context # Activities
24900406 10.1021/ml300256p Unchecked 4
23030762 10.1021/jm300976b Unchecked 3
27007185 10.1021/acs.jmedchem.5b01960 Gamma-secretase 1

Data from ChEMBL 36 via Core Engine