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Compound Detail

CHEMBL155671

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CC(Cc1cccnc1)c1ccc2c(c1)CCC(=O)N2

Basic Information

ChEMBL ID CHEMBL155671
Phase Preclinical
Structure Type MOL
InChI Key SMUSWZBZWOGIAU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
3.31
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O
MW 266.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.65

Activity Summary

IC50 1 meas. best 4.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 4.46 4.46 35000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 35000.0 nM 4.46 In vitro inhibition of ADP-induced aggregation of human PRP in the presence of p... 1311763

Literature References

PubMed DOI Target Context # Activities
1311763 10.1021/jm00082a002 Homo sapiens 2

Data from ChEMBL 36 via Core Engine