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Compound Detail

CHEMBL5282564

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CC(C)(O)[C@@H]1C[C@H]1c1cc2c(ccn2-c2ccnc(N)n2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5282564
Phase Preclinical
Structure Type MOL
InChI Key LMKKTOXYCVQHAO-VXGBXAGGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
2.27
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 C17H19N5O
MW 309.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
33944571 10.1021/acs.jmedchem.1c00382 Tau-tubulin kinase 1 2
33944571 10.1021/acs.jmedchem.1c00382 ADMET 2

Data from ChEMBL 36 via Core Engine