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Compound Detail

CHEMBL106878

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COc1cc2ncc(NC3CCC(C(N)=O)CC3)nc2cc1OC

Basic Information

ChEMBL ID CHEMBL106878
Phase Preclinical
Structure Type MOL
InChI Key HBZSOHZCCIMNIO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
2.10
ALogP
6
HBA
2
HBD
99.4
PSA (Ų)
0.87
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 C17H22N4O3
MW 330.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2095189
IC50 6.03 6.03 930.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor IC50 = 930.0 nM 6.03 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