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Compound Detail

CHEMBL604489

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COc1cc(OC)cc(-n2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL604489
Phase Preclinical
Structure Type MOL
InChI Key RQQSPQQAPBVUGP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)
3.86
ALogP
6
HBA
1
HBD
82.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N3O4
MW 401.42
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
19682911 10.1016/j.bmc.2009.07.048 NON-PROTEIN TARGET 1
19682911 10.1016/j.bmc.2009.07.048 L1210 1
19682911 10.1016/j.bmc.2009.07.048 SK-OV-3 1

Data from ChEMBL 36 via Core Engine