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Compound Detail

CHEMBL435932

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

Basic Information

ChEMBL ID CHEMBL435932
Phase Preclinical
Structure Type MOL
InChI Key NZWGLNHCOXHUDM-VNXZQDSDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

628.7
MW (Da)
5.21
ALogP
6
HBA
3
HBD
104.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H42BrN3O4S2
MW 628.70
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness -0.09

Literature References

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

Data from ChEMBL 36 via Core Engine