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Compound Detail

CHEMBL186414

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NCCCc1c(-c2ccccc2)[nH]c(N)nc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL186414
Phase Preclinical
Structure Type MOL
InChI Key MGMOJOXTRYQASQ-UHFFFAOYSA-N

Known Names

NCI-100857
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names

Molecular Properties

244.3
MW (Da)
0.91
ALogP
4
HBA
3
HBD
97.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N4O
MW 244.30
Aromatic Rings 2
Heavy Atoms 18

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15481972 10.1021/jm049934e Cytochrome P450 2D6 1

Data from ChEMBL 36 via Core Engine