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Compound Detail

CHEMBL144702

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CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCCn1ccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144702
Phase Preclinical
Structure Type MOL
InChI Key UVBTUOHHWURWEZ-MOPGFXCFSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.6
MW (Da)
0.54
ALogP
6
HBA
2
HBD
113.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29N5O4S
MW 447.56
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.30

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