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Compound Detail

CHEMBL186200

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

Basic Information

ChEMBL ID CHEMBL186200
Phase Preclinical
Structure Type MOL
InChI Key NHNBFGGVMKEFGY-UHFFFAOYSA-N
0
Targets
14
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

62.0
MW (Da)
-0.24
ALogP
3
HBA
0
HBD
66.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula NO3-
MW 62.00
Aromatic Rings 0
Heavy Atoms 4
NP-Likeness -1.16

Activity Summary

Ki 13 meas.
IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27283786 10.1016/j.bmc.2016.05.029 Unchecked 4
26853167 10.1016/j.bmcl.2016.01.072 Unchecked 2
26525863 10.1016/j.bmcl.2015.10.074 Carbonic anhydrase 1 1
26525863 10.1016/j.bmcl.2015.10.074 Carbonic anhydrase 2 1
26525863 10.1016/j.bmcl.2015.10.074 Unchecked 1
26853167 10.1016/j.bmcl.2016.01.072 Carbonic anhydrase 2 1
26853167 10.1016/j.bmcl.2016.01.072 Carbonic anhydrase 1 1
27283786 10.1016/j.bmc.2016.05.029 Carbonic anhydrase 2 1
27283786 10.1016/j.bmc.2016.05.029 Carbonic anhydrase 1 1

Data from ChEMBL 36 via Core Engine