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Compound Detail

CHEMBL5287975

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CC1(O)CN(c2cc3c(cn2)cnn3-c2ccnc(N)n2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5287975
Phase Preclinical
Structure Type MOL
InChI Key JEDXDKCLMHDEJN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
0.36
ALogP
8
HBA
2
HBD
106.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15N7O
MW 297.32
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.92

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