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Compound Detail

CHEMBL270526

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Cc1ccc2cc(S(=O)(=O)CCC(=O)N(C)C3CCN(c4ccnc(C)c4)CC3)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL270526
Phase Preclinical
Structure Type MOL
InChI Key MAKIUNGQKOQJQS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
4.14
ALogP
5
HBA
0
HBD
70.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N3O3S
MW 465.62
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.65

Activity Summary

IC50 1 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 IC50 6.14 6.14 720.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X IC50 = 720.0 nM 6.14 Inhibition of human factor 10a 18077174

Literature References

PubMed DOI Target Context # Activities
18077174 10.1016/j.bmc.2007.11.073 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine