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Compound Detail

CHEMBL558198

RAZAXABAN HYDROCHLORIDE
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CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL558198
Name RAZAXABAN HYDROCHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key CASCTHHMARGRLB-UHFFFAOYSA-N
Parent Compound CHEMBL206335
Active Moiety CHEMBL206335

Known Names

BMS-561389 Razaxaban hcl Razaxaban hydrochloride
8
Targets
23
Activities
2
Assay Types
9
PK Parameters
20
Publications
3
Known Names

Molecular Properties

528.5
MW (Da)
4.25
ALogP
9
HBA
2
HBD
120.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -xaban
USAN Year 2003

Extended Properties

Molecular Formula C24H21ClF4N8O2
MW 564.93
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -2.02

Activity Summary

Ki 21 meas. best 9.8
IC50 2 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL5062
 Ki 9.8 9.7467 0.2 3
Coagulation factor X
CHEMBL244
 Ki 9.72 9.72 0.2 4
Coagulation factor X
CHEMBL3929
 Ki 9.72 9.72 0.2 1
Oryctolagus cuniculus
CHEMBL374
 IC50 6.47 6.47 340.0 2
Prothrombin
CHEMBL204
 Ki 6.27 6.2575 540.0 4
Chymotrypsinogen B
CHEMBL4796
 Ki 5.07 5.07 8500.0 3
Coagulation factor IX
CHEMBL2016
 Ki 5.05 5.05 9000.0 3
Vitamin K-dependent protein C
CHEMBL4444
 Ki 4.71 4.71 19700.0 3

Pharmacokinetic Data

Parameter Value Units Species
CL 18.33 mL.min-1.kg-1 Canis lupus familiaris
CL 18.33 mL.min-1.kg-1 Canis lupus familiaris
CL 18.33 mL.min-1.kg-1 Canis lupus familiaris
F 84.0 % Canis lupus familiaris
F 84.0 % Canis lupus familiaris
F 84.0 % Canis lupus familiaris
T1/2 3.4 hr Canis lupus familiaris
T1/2 3.4 hr Canis lupus familiaris
T1/2 3.4 hr Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X Ki = 0.16 nM 9.8 Binding affinity determined against rabbit Coagulation factor Xa 15771420
Coagulation factor X Ki = 0.19 nM 9.72 Binding affinity against human Coagulation factor Xa 15771420
Coagulation factor X Ki = 0.19 nM 9.72 Binding affinity against blood clotting factor X 15771420
Coagulation factor X Ki = 0.19 nM 9.72 Binding affinity to rabbit f10a 16682200
Coagulation factor X Ki = 0.19 nM 9.72 Binding affinity to human f10a 16682200
Coagulation factor X Ki = 0.19 nM 9.72 Binding affinity to human f10a 16870435
Coagulation factor X Ki = 0.19 nM 9.72 Binding affinity to rabbit f10a 16870435
Coagulation factor X Ki = 0.19 nM 9.72 Inhibition of human factor 10a 17588746
Oryctolagus cuniculus IC50 = 340.0 nM 6.47 Inhibition of thrombus formation in iv dosed rabbit arterio-venous shunt model 16870435
Oryctolagus cuniculus IC50 = 340.0 nM 6.47 Inhibition of thrombus formation in iv dosed rabbit arterio-venous shunt model 16682200
Prothrombin Ki = 540.0 nM 6.27 Binding affinity to thrombin 16682200
Prothrombin Ki = 540.0 nM 6.27 Binding affinity to human thrombin 16870435
Prothrombin Ki = 540.0 nM 6.27 Binding affinity against human thrombin 15771420
Prothrombin Ki = 600.0 nM 6.22 Binding affinity against human thrombin 15771420
Chymotrypsinogen B Ki = 8500.0 nM 5.07 Binding affinity against chymotrypsin 15771420
Chymotrypsinogen B Ki = 8500.0 nM 5.07 Binding affinity to chymotrypsin 16682200
Chymotrypsinogen B Ki = 8500.0 nM 5.07 Binding affinity to human chymotrypsin 16870435
Coagulation factor IX Ki = 9000.0 nM 5.05 Binding affinity against human Coagulation factor IX 15771420
Coagulation factor IX Ki = 9000.0 nM 5.05 Binding affinity to f9a 16682200
Coagulation factor IX Ki = 9000.0 nM 5.05 Binding affinity to human f9a 16870435

Literature References

PubMed DOI Target Context # Activities
15771420 10.1021/jm0497949 ADMET 7
16682200 10.1016/j.bmcl.2006.04.044 Canis familiaris 4
16870435 10.1016/j.bmcl.2006.07.002 Canis familiaris 4
16870435 10.1016/j.bmcl.2006.07.002 Coagulation factor X 3
16870435 10.1016/j.bmcl.2006.07.002 Oryctolagus cuniculus 3
15771420 10.1021/jm0497949 Coagulation factor X 3
15771420 10.1021/jm0497949 Prothrombin 2
15771420 10.1021/jm0497949 Caco-2 2
16682200 10.1016/j.bmcl.2006.04.044 Oryctolagus cuniculus 2
16682200 10.1016/j.bmcl.2006.04.044 Coagulation factor X 2
16682200 10.1016/j.bmcl.2006.04.044 Coagulation factor VII/tissue factor 2
16870435 10.1016/j.bmcl.2006.07.002 Coagulation factor VII/tissue factor 2
15771420 10.1021/jm0497949 Vitamin K-dependent protein C 1
15771420 10.1021/jm0497949 Chymotrypsinogen B 1
15771420 10.1021/jm0497949 Coagulation factor VII 1
15771420 10.1021/jm0497949 Coagulation factor XI 1
15771420 10.1021/jm0497949 Coagulation factor IX 1
15771420 10.1021/jm0497949 Oryctolagus cuniculus 1
15771420 10.1021/jm0497949 Serine protease 1 1
17588746 10.1016/j.bmcl.2007.06.029 Plasma 1

Data from ChEMBL 36 via Core Engine