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Compound Detail

CHEMBL1165780

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CCOC(=O)CCCn1ccc(=O)c2c1ncn2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1165780
Phase Preclinical
Structure Type MOL
InChI Key GYQMBNAGRYUXGW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
2.59
ALogP
6
HBA
0
HBD
66.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N3O3
MW 339.40
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.92

Literature References

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

Data from ChEMBL 36 via Core Engine