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Compound Detail

CHEMBL315892

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CC1CCN(C(=O)C(Cc2cc3c(N)nccc3s2)NS(=O)(=O)c2ccc3ccccc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL315892
Phase Preclinical
Structure Type MOL
InChI Key SEFSJIDRHBCMDE-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

508.7
MW (Da)
4.18
ALogP
6
HBA
2
HBD
105.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N4O3S2
MW 508.67
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.36

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
10522702 10.1016/s0960-894x(99)00483-7 Prothrombin 1
10522702 10.1016/s0960-894x(99)00483-7 Serine protease 1 1
10522702 10.1016/s0960-894x(99)00483-7 Caco-2 1

Data from ChEMBL 36 via Core Engine