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Compound Detail

CHEMBL5287032

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Nc1nccc(-n2ncc3cnc(-c4ccc(O)cc4)cc32)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5287032
Phase Preclinical
Structure Type MOL
InChI Key MIYHFQGUXXSBLI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.3
MW (Da)
2.17
ALogP
7
HBA
2
HBD
102.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N6O
MW 304.31
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
33944571 10.1021/acs.jmedchem.1c00382 Tau-tubulin kinase 1 1

Data from ChEMBL 36 via Core Engine