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Compound Detail

CHEMBL77326

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CC(=N)N1CCC(CCNC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)NCCC5CCN(C(C)=N)CC5)CC4)CCC3)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL77326
Phase Preclinical
Structure Type MOL
InChI Key UDGHZWNKWGSLGS-AQOUDTPCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

759.0
MW (Da)
4.20
ALogP
8
HBA
4
HBD
177.9
PSA (Ų)
0.21
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 C38H66N10O6
MW 759.01
Aromatic Rings 0
Heavy Atoms 54
NP-Likeness -0.34

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
11055356 10.1016/s0960-894x(00)00485-6 Tryptase 1
11055356 10.1016/s0960-894x(00)00485-6 Serine protease 1 1
11055356 10.1016/s0960-894x(00)00485-6 Prothrombin 1
11055356 10.1016/s0960-894x(00)00485-6 Plasminogen 1

Data from ChEMBL 36 via Core Engine