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Compound Detail

CHEMBL5562592

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Cn1cc(C(=O)N[C@@H]2C[C@@H](C(=O)N[C@@H](CCCCNC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)C(=O)O)N(C(=O)c3cnoc3C3CC3)C2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5562592
Phase Preclinical
Structure Type MOL
InChI Key VFGNIQNALZGPIY-LZOPWLNASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

891.9
MW (Da)
3.40
ALogP
15
HBA
7
HBD
272.6
PSA (Ų)
0.05
QED
3
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H41N9O11S
MW 891.92
Aromatic Rings 5
Heavy Atoms 64
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
38716576 10.1021/acs.jmedchem.4c00332 N-acetylated-alpha-linked acidic dipeptidase 2 1
38716576 10.1021/acs.jmedchem.4c00332 Glutamate carboxypeptidase 2 1

Data from ChEMBL 36 via Core Engine