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

CHEMBL364284

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
O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)c(F)c2)C(=O)O1)c1ccc(Cl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL364284
Phase Preclinical
Structure Type MOL
InChI Key XVBPEQFOAPLQGK-LBPRGKRZSA-N
2
Targets
15
Activities
2
Assay Types
4
PK Parameters
4
Publications
0
Known Names

Molecular Properties

453.9
MW (Da)
2.66
ALogP
6
HBA
1
HBD
88.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17ClFN3O5S
MW 453.88
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -2.14

Activity Summary

IC50 13 meas. best 9.81
Kd 2 meas. best 9.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
 IC50 9.81 9.6146 0.2 13
Coagulation factor X
CHEMBL244
 Kd 9.26 9.26 0.6 1
Coagulation factor X
CHEMBL5062
 Kd 6.82 6.82 150.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 18.17 mL.min-1.kg-1 Rattus norvegicus
F - % Rattus norvegicus
Fu - - Rattus norvegicus
T1/2 0.3 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X IC50 = 0.155 nM 9.81 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.175 nM 9.76 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.189 nM 9.72 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.203 nM 9.69 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.214 nM 9.67 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.214 nM 9.67 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.218 nM 9.66 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.222 nM 9.65 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.225 nM 9.65 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.233 nM 9.63 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.237 nM 9.62 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X IC50 = 0.245 nM 9.61 Biochemical assay using fluorogenic peptide substrate.Step 1: Compound transfer ... -
Coagulation factor X Kd = 0.55 nM 9.26 Recombinant Factor Xa was immobilized on a Biacore CM5 chip at 25 degrees C with... -
Coagulation factor X IC50 = 1.4 nM 8.85 In vitro inhibition of human coagulation factor Xa after incubation for 10 min a... 16161994
Coagulation factor X Kd = 150.0 nM 6.82 Protein construct Rabbit Factor Xa purchased from Enzyme Research Laboratories ... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885741 Coagulation factor X 18
16161994 10.1021/jm050101d ADMET 5
16161994 10.1021/jm050101d Rattus norvegicus 3
16161994 10.1021/jm050101d Coagulation factor X 2

Data from ChEMBL 36 via Core Engine