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Compound Detail

CHEMBL4169579

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CCOC(=O)c1nc2ccccc2nc1Nc1cccc(N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169579
Phase Preclinical
Structure Type MOL
InChI Key WTNSQNSGRRBNKN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
3.13
ALogP
6
HBA
2
HBD
90.1
PSA (Ų)
0.57
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 C17H16N4O2
MW 308.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
29778892 10.1016/j.ejmech.2018.04.056 Serine/threonine-protein kinase pim-1 1

Data from ChEMBL 36 via Core Engine