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Compound Detail

CHEMBL5192481

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C=CC(=O)NCCCCc1ccc2ncn(-c3ccnc(N)n3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5192481
Phase Preclinical
Structure Type MOL
InChI Key GUWOWZKZBCFXKY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
2.02
ALogP
6
HBA
2
HBD
98.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N6O
MW 336.40
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.83

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
34212719 10.1021/acs.jmedchem.0c01249 Mitogen-activated protein kinase kinase kinase 14 1

Data from ChEMBL 36 via Core Engine