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Compound Detail

CHEMBL6884

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Cc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1

Basic Information

ChEMBL ID CHEMBL6884
Phase Preclinical
Structure Type MOL
InChI Key PWYJJIJHWOOEFN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
4.19
ALogP
1
HBA
2
HBD
48.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N2O
MW 274.32
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -0.65

Activity Summary

IC50 2 meas. best 5.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2095189
IC50 5.12 5.12 7500.0 1
Unchecked
CHEMBL612545
IC50 5.12 5.12 7500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11855980 10.1021/jm010988n Platelet-derived growth factor receptor 1
34864496 10.1016/j.bmc.2021.116534 Unchecked 1

Data from ChEMBL 36 via Core Engine