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Compound Detail

CHEMBL2331694

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O=Cc1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2331694
Phase Preclinical
Structure Type MOL
InChI Key FCUVCDKWEBNPHD-LBPRGKRZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
1.58
ALogP
7
HBA
0
HBD
96.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N3O5
MW 303.27
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
24900574 10.1021/ml300362a L6 1
24900574 10.1021/ml300362a Mycobacterium tuberculosis 1
24900574 10.1021/ml300362a Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine