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Compound Detail

CHEMBL5556963

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O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=S)NCCCC[C@H](NC(=O)[C@@H]3C[C@@H](n4cc(-c5c[nH]nn5)nn4)CN3C(=O)c3cnoc3C3CC3)C(=O)O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5556963
Phase Preclinical
Structure Type MOL
InChI Key FOZRMXACXBZWIV-RRARBMOHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

901.9
MW (Da)
4.09
ALogP
16
HBA
7
HBD
285.1
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 C43H39N11O10S
MW 901.92
Aromatic Rings 6
Heavy Atoms 65
NP-Likeness -0.67

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