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Compound Detail

CHEMBL423785

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Cc1ccnc(N2CCN(CCc3c(-c4ccc(Cl)cc4)n4c5c(cccc35)CCC4)CC2)c1

Basic Information

ChEMBL ID CHEMBL423785
Phase Preclinical
Structure Type MOL
InChI Key GIAQGHCGZWYVDM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

471.1
MW (Da)
5.98
ALogP
4
HBA
0
HBD
24.3
PSA (Ų)
0.36
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 C29H31ClN4
MW 471.05
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.28

Activity Summary

IC50 1 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
IC50 5.48 5.48 3300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus IC50 = 3300.0 nM 5.48 Test against PAF-induced aggregation of rabbit platelets in vitro 7861415

Literature References

PubMed DOI Target Context # Activities
7861415 10.1021/jm00004a013 Cavia porcellus 1
7861415 10.1021/jm00004a013 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine