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Compound Detail

CHEMBL373331

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Cc1cc(O)c2ccc3[nH]ccc3c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL373331
Phase Preclinical
Structure Type MOL
InChI Key CYQMGMFNSCKGOB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

198.2
MW (Da)
2.73
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N2O
MW 198.22
Aromatic Rings 3
Heavy Atoms 15
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
15857148 10.1021/jm049387x NON-PROTEIN TARGET 8
15857148 10.1021/jm049387x OVCAR-3 1
15857148 10.1021/jm049387x IGROV-1 1
15857148 10.1021/jm049387x MCF7 1
15857148 10.1021/jm049387x A 172 1
15857148 10.1021/jm049387x HT-29 1
15857148 10.1021/jm049387x HepG2 1

Data from ChEMBL 36 via Core Engine