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Compound Detail

CHEMBL2112462

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COc1cc2ncc(N[C@H]3CC[C@H](C(=O)OC)CC3)nc2cc1OC

Basic Information

ChEMBL ID CHEMBL2112462
Phase Preclinical
Structure Type MOL
InChI Key FTXKUBNATJTYSH-HAQNSBGRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
2.79
ALogP
7
HBA
1
HBD
82.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N3O4
MW 345.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.80

Activity Summary

IC50 1 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2095189
IC50 6.46 6.46 345.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor IC50 = 345.0 nM 6.46 Inhibition of Platelet-derived growth factor receptor 12941342

Literature References

PubMed DOI Target Context # Activities
12941342 10.1016/s0960-894x(03)00655-3 Platelet-derived growth factor receptor 1

Data from ChEMBL 36 via Core Engine