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Compound Detail

CHEMBL5430513

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

Basic Information

ChEMBL ID CHEMBL5430513
Phase Preclinical
Structure Type MOL
InChI Key SNRIYLTXNWMHPS-CZSRRRFISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

707.8
MW (Da)
2.21
ALogP
7
HBA
8
HBD
223.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H49N7O8
MW 707.83
Aromatic Rings 2
Heavy Atoms 51
NP-Likeness 0.31

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