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Compound Detail

CHEMBL3981727

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Cc1ccnc(N)c1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3981727
Phase Preclinical
Structure Type MOL
InChI Key IKMZGACFMXZAAT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

153.1
MW (Da)
0.88
ALogP
4
HBA
1
HBD
82.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H7N3O2
MW 153.14
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -1.04

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
28129991 10.1016/j.bmc.2017.01.012 PI3-kinase p110-alpha/p85-alpha 1
28129991 10.1016/j.bmc.2017.01.012 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
26908025 10.1021/acs.jmedchem.5b01813 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A 1

Data from ChEMBL 36 via Core Engine