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Compound Detail

CHEMBL1644962

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O=C1NCN(c2ccccc2)C12CCN(C1c3ccccc3Sc3ccccc31)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1644962
Phase Preclinical
Structure Type MOL
InChI Key ZUVDYUYEOGUZPQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.6
MW (Da)
4.67
ALogP
4
HBA
1
HBD
35.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N3OS
MW 427.57
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
21126871 10.1016/j.bmcl.2010.11.029 H4 1

Data from ChEMBL 36 via Core Engine