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Compound Detail

CHEMBL1622853

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NCc1cccc(-n2cccn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1622853
Phase Preclinical
Structure Type MOL
InChI Key YWZKZHCZKIKAAC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

173.2
MW (Da)
1.33
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11N3
MW 173.22
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -2.47

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
34436898 10.1021/acs.jmedchem.1c00511 Plasma kallikrein 1

Data from ChEMBL 36 via Core Engine