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Compound Detail

CHEMBL144983

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CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCc1c[nH]cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144983
Phase Preclinical
Structure Type MOL
InChI Key MVTOSSFLTDJPCE-MSOLQXFVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
0.22
ALogP
5
HBA
3
HBD
124.3
PSA (Ų)
0.52
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 C20H27N5O4S
MW 433.53
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.91

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11738570 10.1016/s0960-894x(01)00667-9 Prothrombin 1

Data from ChEMBL 36 via Core Engine