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Compound Detail

CHEMBL99814

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CS(=O)(=O)Nc1ccc(OCC(O)CNCCNC(=O)c2ccc(-n3ccnc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99814
Phase Preclinical
Structure Type MOL
InChI Key BQOIBCUHZLZXDB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

473.6
MW (Da)
1.00
ALogP
8
HBA
4
HBD
134.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N5O5S
MW 473.56
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.67

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
1976812 10.1021/jm00172a033 Canis familiaris 5
1976812 10.1021/jm00172a033 Adrenergic receptor beta 1
1976812 10.1021/jm00172a033 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine