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Compound Detail

CHEMBL3883499

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CN(CCCCCNc1nc2ccccc2c2nc3ccccc3nc12)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3883499
Phase Preclinical
Structure Type MOL
InChI Key KXASECKYFKIYLW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

435.6
MW (Da)
6.05
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.17
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29N5
MW 435.58
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.90

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