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Compound Detail

CHEMBL165238

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O=C(NCc1ccccc1)NCc1ccccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL165238
Phase Preclinical
Structure Type MOL
InChI Key IAZPBCJVNLDDIU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
2.59
ALogP
3
HBA
2
HBD
84.3
PSA (Ų)
0.65
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 C15H15N3O3
MW 285.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
10715143 10.1021/jm991155o B2 bradykinin receptor 1
- 10.1039/C3MD00138E Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine