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Compound Detail

CHEMBL1164620

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CCOC(=O)Cn1ccc(=O)c2c1ncn2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1164620
Phase Preclinical
Structure Type MOL
InChI Key AUNGMTZZBPMKPG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
1.81
ALogP
6
HBA
0
HBD
66.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O3
MW 311.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
20207054 10.1016/j.ejmech.2010.02.033 Unchecked 2

Data from ChEMBL 36 via Core Engine