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Compound Detail

CHEMBL185982

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COc1ccc2c(ccn2C(=O)c2ccc3c(c2)OCO3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL185982
Phase Preclinical
Structure Type MOL
InChI Key KEMSRGDLXYTRCI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
3.07
ALogP
5
HBA
0
HBD
49.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13NO4
MW 295.29
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
15293996 10.1021/jm049802l NUGC-3 1
15293996 10.1021/jm049802l MKN-45 1
15293996 10.1021/jm049802l MES-SA 1
15293996 10.1021/jm049802l A549 1
15293996 10.1021/jm049802l MCF7 1

Data from ChEMBL 36 via Core Engine