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Compound Detail

CHEMBL5204052

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CN(C)CCC(=O)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5204052
Phase Preclinical
Structure Type MOL
InChI Key RFPVYARXJZWOMM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
3.74
ALogP
4
HBA
2
HBD
78.2
PSA (Ų)
0.31
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N3O3
MW 375.43
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 100.0 nM 7.0 Inhibition of PDGF-BB-stimulated PDGFR autophosphorylation in mouse Swiss-3T3 ce... 34864496

Literature References

PubMed DOI Target Context # Activities
34864496 10.1016/j.bmc.2021.116534 Unchecked 1

Data from ChEMBL 36 via Core Engine