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Compound Detail

CHEMBL1085972

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CCOC(=O)CNC(=O)C(=O)C(COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1085972
Phase Preclinical
Structure Type MOL
InChI Key TYBWAJKUTOCUEC-SQTCDLSVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

745.9
MW (Da)
5.82
ALogP
7
HBA
3
HBD
139.9
PSA (Ų)
0.06
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 C45H51N3O7
MW 745.92
Aromatic Rings 4
Heavy Atoms 55
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
20481438 10.1021/jm100089e HUVEC 2
20481438 10.1021/jm100089e Cathepsin S 1
20481438 10.1021/jm100089e NON-PROTEIN TARGET 1
20481438 10.1021/jm100089e ADMET 1

Data from ChEMBL 36 via Core Engine