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Compound Detail

CHEMBL45648

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Nc1ccc(Cc2ccc(OCc3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL45648
Phase Preclinical
Structure Type MOL
InChI Key HJSYSUWMWUUCEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
4.44
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.70
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 C20H19NO
MW 289.38
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
9873418 10.1016/s0960-894x(98)00296-0 Prothrombin 1
9873418 10.1016/s0960-894x(98)00296-0 Serine protease 1 1

Data from ChEMBL 36 via Core Engine