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Compound Detail

CHEMBL5410871

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Cc1ccccc1NC(=O)Nc1ccc(C[C@@H]2NC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5410871
Phase Preclinical
Structure Type MOL
InChI Key RWJMSXVIDVRTNR-UGNXYXNMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

771.8
MW (Da)
1.47
ALogP
8
HBA
9
HBD
261.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H45N7O10
MW 771.83
Aromatic Rings 3
Heavy Atoms 56
NP-Likeness 0.20

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