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Compound Detail

CHEMBL5203081

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

Basic Information

ChEMBL ID CHEMBL5203081
Phase Preclinical
Structure Type MOL
InChI Key MHOLTXQYJPLCCC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
1.86
ALogP
6
HBA
2
HBD
98.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N6O
MW 324.39
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.05

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