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Compound Detail

CHEMBL116034

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O=C(OCCN1CCCCC1)c1ccc(/N=N/Nc2ccc(C(=O)OCCN3CCCCC3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL116034
Phase Preclinical
Structure Type MOL
InChI Key SOVATZTZZWCGRU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

507.6
MW (Da)
5.08
ALogP
8
HBA
1
HBD
95.8
PSA (Ų)
0.26
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H37N5O4
MW 507.64
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
7658436 10.1021/jm00018a009 Nucleic Acid 3
7658436 10.1021/jm00018a009 Calf thymus DNA 3
7658436 10.1021/jm00018a009 L1210 1

Data from ChEMBL 36 via Core Engine