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Compound Detail

CHEMBL602139

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CC(C)CCOc1cc(OCCCN)cc(-c2ccc(CCC(=O)O)c(CCC(N)=O)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL602139
Phase Preclinical
Structure Type MOL
InChI Key GTLQEALGUVPBNN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
3.94
ALogP
5
HBA
3
HBD
124.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H36N2O5
MW 456.58
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.18

Activity Summary

Kd 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Granulocyte colony-stimulating factor receptor
CHEMBL1996
 Kd 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Granulocyte colony-stimulating factor receptor Kd = 20000.0 nM 4.7 Binding affinity to granulocyte colony stimulating factor receptor by SPR biosen... 20031402

Literature References

PubMed DOI Target Context # Activities
20031402 10.1016/j.bmcl.2009.12.010 Granulocyte colony-stimulating factor receptor 1

Data from ChEMBL 36 via Core Engine