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Compound Detail

CHEMBL81852

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Cc1c(F)c(Oc2ccccc2)nc(Oc2cccc(C(=N)N)c2)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL81852
Phase Preclinical
Structure Type MOL
InChI Key SZLVLFLVQNHHRF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

355.3
MW (Da)
4.54
ALogP
4
HBA
2
HBD
81.2
PSA (Ų)
0.52
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 C19H15F2N3O2
MW 355.34
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
9733480 10.1021/jm980280h Coagulation factor X 1
9733480 10.1021/jm980280h Prothrombin 1
9733480 10.1021/jm980280h Serine protease 1 1
14667222 10.1021/jm030288d Coagulation factor X 1
12036356 10.1021/jm0200660 Coagulation factor X 1
12036356 10.1021/jm0200660 Prothrombin 1
12036356 10.1021/jm0200660 Serine protease 1 1

Data from ChEMBL 36 via Core Engine