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Compound Detail

CHEMBL104074

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

Basic Information

ChEMBL ID CHEMBL104074
Phase Preclinical
Structure Type MOL
InChI Key CYVRFHRDWQAJGA-PHIMTYICSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
2.36
ALogP
6
HBA
2
HBD
76.5
PSA (Ų)
0.90
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 C16H21N3O3
MW 303.36
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.56

Activity Summary

IC50 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2095189
IC50 7.17 7.17 68.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor IC50 = 68.0 nM 7.17 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