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Compound Detail

CHEMBL93439

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Cc1cc2c(n1C)CCc1cc(C(=O)c3ccccc3)c(O)nc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL93439
Phase Preclinical
Structure Type MOL
InChI Key SQKAWVCYHNMEOG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
3.43
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.74
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 C20H18N2O2
MW 318.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
12873520 10.1016/s0960-894x(03)00529-8 HT-1080 3

Data from ChEMBL 36 via Core Engine