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Compound Detail

CHEMBL370610

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CCNC(=O)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)CCCCC1CCSS1)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL370610
Phase Preclinical
Structure Type MOL
InChI Key KMUVYCVNSVOBOB-HPZMQGABSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

626.7
MW (Da)
4.96
ALogP
6
HBA
3
HBD
104.4
PSA (Ų)
0.15
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H40BrN3O4S2
MW 626.68
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness -0.16

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