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Compound Detail

CHEMBL26832

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COCCOCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1CC=C(C)C

Basic Information

ChEMBL ID CHEMBL26832
Phase Preclinical
Structure Type MOL
InChI Key SRMLSPHJODOYLP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
4.67
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26O6
MW 410.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 1.31

Activity Summary

Kd 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Kd 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Kd = 100.0 nM 7.0 Binding affinity of compound to P-glycoprotein recombinant domain of prenylated ... 10890160

Literature References

PubMed DOI Target Context # Activities
10890160 10.1016/s0960-894x(00)00234-1 Unchecked 1

Data from ChEMBL 36 via Core Engine