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Compound Detail

CHEMBL162185

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Cc1ccc(S(=O)(=O)NCC(=O)NC(Cc2ccc3c(N)nccc3c2)C(=O)N2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL162185
Phase Preclinical
Structure Type MOL
InChI Key NRUUVHLUHWJLNA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

509.6
MW (Da)
2.14
ALogP
6
HBA
3
HBD
134.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
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 -1.02

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
10201829 10.1016/s0960-894x(99)00069-4 Prothrombin 1
10201829 10.1016/s0960-894x(99)00069-4 Serine protease 1 1
10201829 10.1016/s0960-894x(99)00069-4 Caco-2 1

Data from ChEMBL 36 via Core Engine