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Compound Detail

CHEMBL3330756

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c1ccc2c(c1)c(N1CCOCC1)nn1cnnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330756
Phase Preclinical
Structure Type MOL
InChI Key NULDYGNGCCPTAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
1.11
ALogP
6
HBA
0
HBD
55.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N5O
MW 255.28
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -2.07

Literature References

PubMed DOI Target Context # Activities
25086915 10.1016/j.ejmech.2014.07.031 HeLa 1
25086915 10.1016/j.ejmech.2014.07.031 NON-PROTEIN TARGET 1
25086915 10.1016/j.ejmech.2014.07.031 MGC-803 1
25086915 10.1016/j.ejmech.2014.07.031 MCF7 1

Data from ChEMBL 36 via Core Engine