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Compound Detail

CHEMBL46618

OTAMIXABAN
🧪 Phase III
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🧪 Phase III
COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL46618
Name OTAMIXABAN
Phase Phase III
Structure Type MOL
InChI Key PFGVNLZDWRZPJW-OPAMFIHVSA-N

Known Names

FXV-673 Fxv673 Otamixaban RPR-130673 RPR130673 XRP-0673 XRP0673
4
Targets
19
Activities
3
Assay Types
0
PK Parameters
16
Publications
7
Known Names
4
Indications
1
Mechanisms

Molecular Properties

446.5
MW (Da)
2.42
ALogP
5
HBA
3
HBD
132.2
PSA (Ų)
0.16
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -xaban

Extended Properties

Molecular Formula C25H26N4O4
MW 446.51
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.33

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Coagulation factor X inhibitor INHIBITOR Coagulation factor X ✓ ✓

Indications

Acute Coronary Syndrome Coronary Disease Kidney Diseases Liver Diseases

Activity Summary

IC50 13 meas. best 9.23
Kd 3 meas. best 7.77
Ki 3 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 Ki 9.4 9.35 0.4 2
Coagulation factor X
CHEMBL244
 IC50 9.23 9.1175 0.6 12
Coagulation factor X
CHEMBL244
 Kd 7.77 7.41 16.8 2
Coagulation factor X
CHEMBL5062
 Kd 6.98 6.98 104.9 1
Serine protease 1
CHEMBL209
 Ki 6.52 6.52 301.0 1
Transmembrane protease serine 2
CHEMBL1795140
 IC50 6.21 6.21 620.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X Ki = 0.4 nM 9.4 Inhibition of Coagulation factor Xa 12039587
Coagulation factor X Ki = 0.5 nM 9.3 Inhibition of factor 10a 20503967
Coagulation factor X IC50 = 0.586 nM 9.23 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.623 nM 9.21 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.682 nM 9.17 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.702 nM 9.15 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.734 nM 9.13 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.747 nM 9.13 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.784 nM 9.11 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.823 nM 9.09 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.851 nM 9.07 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.865 nM 9.06 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.933 nM 9.03 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.929 nM 9.03 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X Kd = 16.84 nM 7.77 Protein construct Factor Xa purchased from R&D Systems- Source : Sf9 derived, M... -
Coagulation factor X Kd = 89.31 nM 7.05 Recombinant Factor Xa was immobilized on a Biacore CM5 chip at 25 degrees C with... -
Coagulation factor X Kd = 104.93 nM 6.98 Protein construct Rabbit Factor Xa purchased from Enzyme Research Laboratories ... -
Serine protease 1 Ki = 301.0 nM 6.52 In vitro inhibitory potency against Trypsin 12039587
Transmembrane protease serine 2 IC50 = 620.0 nM 6.21 Inhibition of human TMPRSS2 37981443

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885741 Coagulation factor X 21
12039587 10.1016/s0960-894x(02)00213-5 Unchecked 3
12039587 10.1016/s0960-894x(02)00213-5 NON-PROTEIN TARGET 2
12039587 10.1016/s0960-894x(02)00213-5 Rattus norvegicus 2
20503967 10.1021/jm100146h NON-PROTEIN TARGET 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
12039587 10.1016/s0960-894x(02)00213-5 Coagulation factor X 1
12039587 10.1016/s0960-894x(02)00213-5 Prothrombin 1
12039587 10.1016/s0960-894x(02)00213-5 Serine protease 1 1
12039587 10.1016/s0960-894x(02)00213-5 Thrombin and coagulation factor X 1
12039587 10.1016/s0960-894x(02)00213-5 Coagulation factor X and plasma kallikrein 1
20503967 10.1021/jm100146h Coagulation factor X 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
37981443 10.1016/j.ejmech.2023.115923 Transmembrane protease serine 2 1

Data from ChEMBL 36 via Core Engine