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Compound Detail

CHEMBL129467

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O=C(O)CCCc1ocnc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL129467
Phase Preclinical
Structure Type MOL
InChI Key VBSJENJSUVMKSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
5.07
ALogP
5
HBA
1
HBD
89.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N2O4
MW 374.40
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
7504734 10.1021/jm00076a018 Homo sapiens 2

Data from ChEMBL 36 via Core Engine