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Compound Detail

CHEMBL152676

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Cn1cc(C(=O)CCCCOc2ccc(C(=O)O)cc2)cc1C=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL152676
Phase Preclinical
Structure Type MOL
InChI Key MIXWACFJHDRZCG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
2.97
ALogP
5
HBA
1
HBD
85.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO5
MW 329.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81153-7 Vero 6
- 10.1016/S0960-894X(01)81153-7 HeLa 2
7877145 10.1021/jm00005a007 HeLa 2
7877145 10.1021/jm00005a007 Human rhinovirus sp. 2
- 10.6019/CHEMBL3301361 No relevant target 2

Data from ChEMBL 36 via Core Engine