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Compound Detail

CHEMBL119715

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CC(=O)c1ccc(N/N=N/c2ccc(C(=O)OCCc3sc(-c4c5ccccc5nc5ccccc45)nc3C)cc2)cc1

Basic Information

ChEMBL ID CHEMBL119715
Phase Preclinical
Structure Type MOL
InChI Key UXUOHRAMRQTPPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

585.7
MW (Da)
8.53
ALogP
8
HBA
1
HBD
105.9
PSA (Ų)
0.06
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H27N5O3S
MW 585.69
Aromatic Rings 6
Heavy Atoms 43
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
7658436 10.1021/jm00018a009 Nucleic Acid 3
7658436 10.1021/jm00018a009 Calf thymus DNA 1
7658436 10.1021/jm00018a009 L1210 1
7658436 10.1021/jm00018a009 A2780 1

Data from ChEMBL 36 via Core Engine