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Compound Detail

CHEMBL5274190

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CC(C)(C)OC(=O)N1CCN(Cc2ccc(Nc3nccc(-c4ccc5scnc5c4)n3)nc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5274190
Phase Preclinical
Structure Type MOL
InChI Key VEXYVQXUVGMNFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

503.6
MW (Da)
4.94
ALogP
9
HBA
1
HBD
96.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N7O2S
MW 503.63
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.72

Literature References

PubMed DOI Target Context # Activities
36800260 10.1021/acs.jmedchem.3c00106 Dual specificity tyrosine-phosphorylation-regulated kinase 2 1

Data from ChEMBL 36 via Core Engine