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Compound Detail

CHEMBL373191

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CCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)C(=O)NCC)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL373191
Phase Preclinical
Structure Type MOL
InChI Key XZYFGNIRBJQTIG-AHWVRZQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

536.2
MW (Da)
5.13
ALogP
4
HBA
3
HBD
104.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H46ClN3O4
MW 536.16
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
16185867 10.1016/j.bmcl.2005.08.064 Calpain-1 catalytic subunit 1
16185867 10.1016/j.bmcl.2005.08.064 Unchecked 1

Data from ChEMBL 36 via Core Engine