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Compound Detail

CHEMBL95358

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CC(=O)NCCNc1ccnc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL95358
Phase Preclinical
Structure Type MOL
InChI Key UAHOPZDJEOTXEI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

229.3
MW (Da)
1.78
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.79
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 C13H15N3O
MW 229.28
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
10649984 10.1021/jm990437l Ferriprotoporphyrin IX 1
10649984 10.1021/jm990437l Histidine-rich protein PFHRP-II 1
10649984 10.1021/jm990437l Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine