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Compound Detail

CHEMBL441293

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C[C@H](Cc1ccc(OCC(=O)O)cc1)NS(=O)(=O)c1ccc(C(=N)N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441293
Phase Preclinical
Structure Type MOL
InChI Key IYFYLWLZDFJFCP-GFCCVEGCSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

391.4
MW (Da)
1.34
ALogP
5
HBA
4
HBD
142.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3O5S
MW 391.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.89

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
1447740 10.1021/jm00101a017 Unchecked 3
1447740 10.1021/jm00101a017 Integrin alpha-IIb/beta-3 1
1447740 10.1021/jm00101a017 Integrin alpha-V/beta-3 1

Data from ChEMBL 36 via Core Engine