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Quick search ChEMBL 36
Compound Detail

CHEMBL4452454

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O=C1Nc2ccc([N+](=O)[O-])cc2C1=Cc1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4452454
Phase Preclinical
Structure Type MOL
InChI Key MOVFFFNGOAJMRV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

267.2
MW (Da)
2.48
ALogP
4
HBA
1
HBD
85.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9N3O3
MW 267.24
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
30902399 10.1016/j.bmc.2019.03.028 Glycogen synthase kinase-3 beta 2
30902399 10.1016/j.bmc.2019.03.028 A549 1
34780899 10.1016/j.bmcl.2021.128449 Unchecked 1

Data from ChEMBL 36 via Core Engine