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Compound Detail

CHEMBL104616

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COc1cc2ncc(NC3CCCC3)nc2cc1OC

Basic Information

ChEMBL ID CHEMBL104616
Phase Preclinical
Structure Type MOL
InChI Key FBCVQPSZSMHQGK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

273.3
MW (Da)
3.00
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N3O2
MW 273.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.83

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2095189
IC50 6.89 6.89 128.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor IC50 = 128.0 nM 6.89 Inhibition of Platelet-derived growth factor receptor 12941341

Literature References

PubMed DOI Target Context # Activities
12941341 10.1016/s0960-894x(03)00654-1 Platelet-derived growth factor receptor 1

Data from ChEMBL 36 via Core Engine