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Compound Detail

CHEMBL33585

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O=C(CN1CCOCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CN3CCOCC3)cc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL33585
Phase Preclinical
Structure Type MOL
InChI Key RDUDGLRJNZMVNR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

492.5
MW (Da)
1.00
ALogP
8
HBA
2
HBD
117.3
PSA (Ų)
0.52
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 C26H28N4O6
MW 492.53
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
1573635 10.1021/jm00086a010 Nucleic Acid 3
1573635 10.1021/jm00086a010 NON-PROTEIN TARGET 2
1573635 10.1021/jm00086a010 L1210 1
1573635 10.1021/jm00086a010 No relevant target 1

Data from ChEMBL 36 via Core Engine