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Compound Detail

CHEMBL164914

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O=[N+]([O-])c1cccc(N/N=C(\S)NCc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL164914
Phase Preclinical
Structure Type MOL
InChI Key ZPAMATQOPXGWAN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
3.00
ALogP
4
HBA
3
HBD
79.6
PSA (Ų)
0.26
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 C14H14N4O2S
MW 302.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.64

Literature References

PubMed DOI Target Context # Activities
10715143 10.1021/jm991155o B2 bradykinin receptor 1

Data from ChEMBL 36 via Core Engine