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Compound Detail

CHEMBL117980

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O=C(OCCN1CCOCC1)c1ccc(/N=N/Nc2ccc(C(=O)OCCN3CCOCC3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117980
Phase Preclinical
Structure Type MOL
InChI Key NHSTUIRFEFBPNJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

511.6
MW (Da)
2.78
ALogP
10
HBA
1
HBD
114.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33N5O6
MW 511.58
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.83

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