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Compound Detail

CHEMBL185794

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NNC(Cc1c[nH]c2ccccc12)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL185794
Phase Preclinical
Structure Type MOL
InChI Key YJLGBPOTRWZBFH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

219.2
MW (Da)
0.63
ALogP
3
HBA
4
HBD
91.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N3O2
MW 219.24
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.10

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15481979 10.1021/jm040108f Protein kinase Pfmrk 1

Data from ChEMBL 36 via Core Engine