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Compound Detail

CHEMBL5420916

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CCCNC(=O)[C@@H]1CC(=O)N[C@@H](Cc2ccc(NC(=O)Nc3ccccc3C)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5420916
Phase Preclinical
Structure Type MOL
InChI Key ZHJOTKKKMXDPDR-UGNXYXNMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

778.9
MW (Da)
1.71
ALogP
8
HBA
9
HBD
253.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H54N8O9
MW 778.91
Aromatic Rings 2
Heavy Atoms 56
NP-Likeness 0.08

Literature References

PubMed DOI Target Context # Activities
36976921 10.1021/acs.jmedchem.2c02098 Integrin alpha-4/beta-1 1

Data from ChEMBL 36 via Core Engine