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Compound Detail

CHEMBL5542221

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Cc1[nH]nnc1C(=O)N[C@@H]1C[C@@H](C(=O)N[C@@H](CCCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)C(=O)O)N(C(=O)c2cnoc2C2CC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5542221
Phase Preclinical
Structure Type MOL
InChI Key RMDOXENFDDCWNA-MWOZDUBJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

891.9
MW (Da)
3.70
ALogP
14
HBA
8
HBD
283.5
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 -0.65

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