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Compound Detail

CHEMBL5220791

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CN1CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C2CCCCC2)C(=O)N[C@H](C(N)=O)CCC(=O)N[C@@H](CCCNC(=N)N)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5220791
Phase Preclinical
Structure Type MOL
InChI Key ZCTGDUFMTKKJNM-IAGYGMIVSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

609.7
MW (Da)
-3.02
ALogP
8
HBA
9
HBD
279.0
PSA (Ų)
0.08
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H43N9O8
MW 609.69
Aromatic Rings 0
Heavy Atoms 43
NP-Likeness 0.43

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
33961417 10.1021/acs.jmedchem.1c00533 Integrin alpha-V/beta-6 1
33961417 10.1021/acs.jmedchem.1c00533 Unchecked 1
33961417 10.1021/acs.jmedchem.1c00533 Integrin alpha-V/beta-3 1
33961417 10.1021/acs.jmedchem.1c00533 Integrin alpha-5/beta-1 1

Data from ChEMBL 36 via Core Engine