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Compound Detail

CHEMBL358918

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N=C(N)c1ccc(/C=C2/CCCCC/C(=C/c3ccc(C(=N)N)cc3)C2=O)cc1

Basic Information

ChEMBL ID CHEMBL358918
Phase Preclinical
Structure Type MOL
InChI Key SCZBXBBBMCBNSK-SIBCGJTDSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
4.25
ALogP
3
HBA
4
HBD
116.8
PSA (Ų)
0.36
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 C24H26N4O
MW 386.50
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.10

Activity Summary

Ki 3 meas. best 8.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
Ki 8.34 8.34 4.6 1
Serine protease 1
CHEMBL3769
Ki 7.0 7.0 100.0 1
Prothrombin
CHEMBL204
Ki 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10639283 10.1021/jm990456v Coagulation factor X 1
10639283 10.1021/jm990456v Prothrombin 1
10639283 10.1021/jm990456v Serine protease 1 1

Data from ChEMBL 36 via Core Engine