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Compound Detail

CHEMBL417214

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O=C(O)CCC(CCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL417214
Phase Preclinical
Structure Type MOL
InChI Key YPOHEPOKCFGNMF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
6.06
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28O4S
MW 448.58
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.07

Literature References

PubMed DOI Target Context # Activities
12723961 10.1021/jm020515w Glutamate carboxypeptidase 2 1

Data from ChEMBL 36 via Core Engine