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Compound Detail

CHEMBL97832

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O=C1C(OC2CCCCC2)=C(C2CCCCC2)C(=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL97832
Phase Preclinical
Structure Type MOL
InChI Key VDHSNKIBJKBQQQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
5.25
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.76
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26O3
MW 338.45
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.40

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10522707 10.1016/s0960-894x(99)00489-8 Human rhinovirus A protease 2

Data from ChEMBL 36 via Core Engine