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Compound Detail

CHEMBL3040688

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O=C(NC1CCNCC1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040688
Phase Preclinical
Structure Type MOL
InChI Key WPCKTHWXJWRNOP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.4
MW (Da)
2.94
ALogP
9
HBA
4
HBD
160.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N4O7
MW 440.41
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.72

Data from ChEMBL 36 via Core Engine