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Compound Detail

CHEMBL327761

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OCCNc1ccnc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL327761
Phase Preclinical
Structure Type MOL
InChI Key AAIWTWUMJZEMJQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

188.2
MW (Da)
1.64
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.77
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 C11H12N2O
MW 188.23
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.98

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
19188070 10.1016/j.bmc.2009.01.013 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine