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Compound Detail

CHEMBL477175

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Cc1cc(C)cc(-c2ccc3c4c([nH]c3c2)-c2cc(O)c(C(=O)O)cc2CC4)c1

Basic Information

ChEMBL ID CHEMBL477175
Phase Preclinical
Structure Type MOL
InChI Key BIVCSCVSPSZJON-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
5.62
ALogP
2
HBA
3
HBD
73.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21NO3
MW 383.45
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness 0.32

Activity Summary

EC50 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thrombopoietin receptor
CHEMBL1864
EC50 7.17 7.17 67.0 1

Pharmacokinetic Data

Parameter Value Units Species
Cmax 2000.0 nM Mus musculus
F 10.0 % Mus musculus
T1/2 4.1 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18778936 10.1016/j.bmcl.2008.08.068 Mus musculus 3
18778936 10.1016/j.bmcl.2008.08.068 Thrombopoietin receptor 2

Data from ChEMBL 36 via Core Engine