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Compound Detail

CHEMBL3334977

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COc1ccc(-c2cnc3[nH]nc(NC(=O)C4CCCCC4)c3n2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3334977
Phase Preclinical
Structure Type MOL
InChI Key KUBBKEMUTZWXKV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
3.56
ALogP
6
HBA
2
HBD
102.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N5O3
MW 381.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
25178155 10.1021/jm5007929 Serine/threonine-protein kinase 17B 2

Data from ChEMBL 36 via Core Engine