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

CHEMBL260160

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
COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1ccc(-n2ccccc2=O)cc1F

Basic Information

ChEMBL ID CHEMBL260160
Phase Preclinical
Structure Type MOL
InChI Key NAJHHJCBBZGVHT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names

Molecular Properties

527.3
MW (Da)
5.19
ALogP
6
HBA
2
HBD
102.3
PSA (Ų)
0.36
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H17Cl2FN4O4
MW 527.34
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.75

Activity Summary

Ki 1 meas.

Pharmacokinetic Data

Parameter Value Units Species
CL 13.33 mL.min-1.kg-1 Canis lupus familiaris
F 18.0 % Canis lupus familiaris
T1/2 0.7 hr Canis lupus familiaris

Literature References

PubMed DOI Target Context # Activities
18424044 10.1016/j.bmcl.2008.03.092 Canis familiaris 4
18424044 10.1016/j.bmcl.2008.03.092 Coagulation factor X 1
18424044 10.1016/j.bmcl.2008.03.092 Plasma 1

Data from ChEMBL 36 via Core Engine