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Compound Detail

CHEMBL3885393

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O=c1c2nc3ccccc3nc2c2ccccc2n1CCN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3885393
Phase Preclinical
Structure Type MOL
InChI Key MKMAWBBWKZGDAW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
2.43
ALogP
6
HBA
0
HBD
60.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N4O2
MW 360.42
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
27521587 10.1016/j.ejmech.2016.07.063 Unchecked 6
27521587 10.1016/j.ejmech.2016.07.063 NON-PROTEIN TARGET 2
27521587 10.1016/j.ejmech.2016.07.063 DNA topoisomerase 2-alpha 1

Data from ChEMBL 36 via Core Engine