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Compound Detail

CHEMBL331930

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O=C(O)CN[C@H](CC1CCCCC1)C(=O)N(CC(=O)ONCC1CCNCC1)C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL331930
Phase Preclinical
Structure Type MOL
InChI Key ACORKAWLGZABTM-OAQYLSRUSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
1.82
ALogP
7
HBA
4
HBD
120.0
PSA (Ų)
0.32
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H42N4O5
MW 466.62
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness -0.22

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
9934479 10.1016/s0960-894x(98)00650-7 Prothrombin 1
9934479 10.1016/s0960-894x(98)00650-7 Unchecked 1
9934479 10.1016/s0960-894x(98)00650-7 No relevant target 1

Data from ChEMBL 36 via Core Engine