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Compound Detail

CHEMBL320862

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C/C(=C\C(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccc(N)cc1

Basic Information

ChEMBL ID CHEMBL320862
Phase Preclinical
Structure Type MOL
InChI Key PZFIOICDFSPGAY-DTQAZKPQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
3.66
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N5O
MW 389.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
IC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus IC50 = 60.0 nM 7.22 Concentration required to inhibit PAF-induced maximum aggregation by 50% 11520209

Literature References

PubMed DOI Target Context # Activities
11520209 10.1021/jm010852p Oryctolagus cuniculus 1
11520209 10.1021/jm010852p Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine