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Compound Detail

CHEMBL3330758

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Cc1nnc2c3ccccc3c(N3CCNCC3)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330758
Phase Preclinical
Structure Type MOL
InChI Key MUPALMKMOSEBLN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
1.00
ALogP
6
HBA
1
HBD
58.4
PSA (Ų)
0.71
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 C14H16N6
MW 268.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.56

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