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Compound Detail

CHEMBL143839

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CCOC(=O)[C@H](NC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL143839
Phase Preclinical
Structure Type MOL
InChI Key AVVRLCVJYHNDOL-JOCHJYFZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
3.47
ALogP
6
HBA
1
HBD
89.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N5O3
MW 435.53
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
 IC50 6.82 6.82 150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus IC50 = 150.0 nM 6.82 Concentration required to inhibit PAF-induced maximum platelet aggregation in ra... 8558517

Literature References

PubMed DOI Target Context # Activities
8558517 10.1021/jm950555i Mus musculus 2
8558517 10.1021/jm950555i Oryctolagus cuniculus 1
8558517 10.1021/jm950555i Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine