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Compound Detail

CHEMBL296280

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c1ccc(COc2ccc(C[n+]3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL296280
Phase Preclinical
Structure Type MOL
InChI Key HJELDWCCYPFYNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
3.60
ALogP
1
HBA
0
HBD
13.1
PSA (Ų)
0.65
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 C19H18NO+
MW 276.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.50

Literature References

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

Data from ChEMBL 36 via Core Engine