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Compound Detail

CHEMBL386940

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Cn1cnnc1SCC(=O)Nc1ccc(-c2nc3ccc(NC(=O)CSc4nncn4C)cc3o2)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL386940
Phase Preclinical
Structure Type MOL
InChI Key DPQLNGDLHNEWMF-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

551.6
MW (Da)
2.92
ALogP
13
HBA
3
HBD
165.9
PSA (Ų)
0.23
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N9O4S2
MW 551.61
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.71

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16982193 10.1016/j.bmcl.2006.08.061 Integrin alpha-V/beta-3 1

Data from ChEMBL 36 via Core Engine