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Compound Detail

CHEMBL571014

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NC(=O)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL571014
Phase Preclinical
Structure Type MOL
InChI Key JRABLXLKKVKDNC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
5.12
ALogP
5
HBA
1
HBD
82.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N4O2
MW 426.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
19819138 10.1016/j.bmcl.2009.09.087 Unchecked 1

Data from ChEMBL 36 via Core Engine