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Compound Detail

CHEMBL174552

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Cc1nc2cnccc2n1C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL174552
Phase Preclinical
Structure Type MOL
InChI Key DOYLLQXZMXPFEJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

424.6
MW (Da)
5.13
ALogP
4
HBA
0
HBD
51.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N4O
MW 424.55
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
 IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus IC50 = 100.0 nM 7.0 Concentration required to inhibit PAF-induced maximum platelet aggregation in ra... 8558517

Literature References

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

Data from ChEMBL 36 via Core Engine