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Compound Detail

CHEMBL5281273

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CC(C)(O)C12CC(c3cc4c(ccn4-c4ccnc(N)n4)cn3)(C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5281273
Phase Preclinical
Structure Type MOL
InChI Key DRKVDJFSVUOKPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
2.59
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N5O
MW 335.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.31

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