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Compound Detail

CHEMBL309395

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CC(=N)N1CCC(CNC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)NCC5CCN(C(C)=N)CC5)CC4)CCC3)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL309395
Phase Preclinical
Structure Type MOL
InChI Key WUTOCCFRZYYIIU-MEKGRNQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

731.0
MW (Da)
3.42
ALogP
8
HBA
4
HBD
177.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H62N10O6
MW 730.96
Aromatic Rings 0
Heavy Atoms 52
NP-Likeness -0.34

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