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Compound Detail

CHEMBL298964

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CCCCCCCCCCC1=NOC(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL298964
Phase Preclinical
Structure Type MOL
InChI Key FTDQIDFCJGBNEK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

485.6
MW (Da)
5.62
ALogP
5
HBA
2
HBD
110.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H35N3O4S
MW 485.65
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.86

Activity Summary

Ki 1 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 Ki 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X Ki = 17000.0 nM 4.77 Binding affinity against the Factor Xa (FXa) 12729667

Literature References

PubMed DOI Target Context # Activities
12729667 10.1016/s0960-894x(03)00130-6 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine