Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL20934

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1cc(C(=O)Nc2ccc(-c3ccccc3CN)cc2F)n(-c2cc3ccccc3cc2F)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL20934
Phase Preclinical
Structure Type MOL
InChI Key YXSYVMVOVUKREN-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
4
PK Parameters
8
Publications
0
Known Names

Molecular Properties

468.5
MW (Da)
5.99
ALogP
4
HBA
2
HBD
72.9
PSA (Ų)
0.33
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 C28H22F2N4O
MW 468.51
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.30

Activity Summary

IC50 1 meas. best 8.7
Ki 1 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 IC50 8.7 8.7 2.0 1
Coagulation factor X
CHEMBL244
 Ki 8.62 8.62 2.4 1

Pharmacokinetic Data

Parameter Value Units Species
CL 51.8 mL.min-1.kg-1 Rattus norvegicus
F 22.8 % Rattus norvegicus
T1/2 2.5 hr Rattus norvegicus
Vd 11.0 L.kg-1 Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X IC50 = 2.0 nM 8.7 Inhibitory concentration against human Coagulation factor X 14980670
Coagulation factor X Ki = 2.4 nM 8.62 Binding affinity against Coagulation factor X 14980670

Literature References

PubMed DOI Target Context # Activities
14980670 10.1016/j.bmcl.2003.12.053 Rattus norvegicus 4
14980670 10.1016/j.bmcl.2003.12.053 Coagulation factor X 3
14980670 10.1016/j.bmcl.2003.12.053 Prothrombin 1
14980670 10.1016/j.bmcl.2003.12.053 Serine protease 1 1
14980670 10.1016/j.bmcl.2003.12.053 Tissue-type plasminogen activator 1
14980670 10.1016/j.bmcl.2003.12.053 Vitamin K-dependent protein C 1
14980670 10.1016/j.bmcl.2003.12.053 Plasminogen 1
14980670 10.1016/j.bmcl.2003.12.053 Kallikrein-1 1

Data from ChEMBL 36 via Core Engine