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Compound Detail

CHEMBL23300

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O=C(CNS(=O)(=O)c1ccc2ccccc2c1)N[C@@H](CCNc1ccncc1)C(=O)N1CCCCC1

Basic Information

ChEMBL ID CHEMBL23300
Phase Preclinical
Structure Type MOL
InChI Key BYERGKHVKYCCJM-DEOSSOPVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

509.6
MW (Da)
2.51
ALogP
6
HBA
3
HBD
120.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N5O4S
MW 509.63
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.40

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00210-2 Prothrombin 1
- 10.1016/S0960-894X(97)00210-2 Serine protease 1 1
- 10.1016/S0960-894X(97)00210-2 Plasminogen 1

Data from ChEMBL 36 via Core Engine