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Compound Detail

CHEMBL5574847

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Nc1ncc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(N)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5574847
Phase Preclinical
Structure Type MOL
InChI Key IPSSOHLOIWTXSK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
1.82
ALogP
7
HBA
2
HBD
124.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N6O2
MW 300.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
38071795 10.1016/j.ejmech.2023.115971 Dihydrofolate reductase 4
38071795 10.1016/j.ejmech.2023.115971 MDA-MB-468 2
38071795 10.1016/j.ejmech.2023.115971 MDA-MB-231 2
38071795 10.1016/j.ejmech.2023.115971 MCF7 2
38071795 10.1016/j.ejmech.2023.115971 No relevant target 1

Data from ChEMBL 36 via Core Engine