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Compound Detail

CHEMBL1188055

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O=C(O)COc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188055
Phase Preclinical
Structure Type MOL
InChI Key ZOFFAGHBGPHINF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
2.74
ALogP
8
HBA
1
HBD
110.8
PSA (Ų)
0.53
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 C21H18N4O5
MW 406.40
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.39

Data from ChEMBL 36 via Core Engine