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Compound Detail

CHEMBL1824151

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CC(=O)N[C@H]1CSC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O

Basic Information

ChEMBL ID CHEMBL1824151
Phase Preclinical
Structure Type MOL
InChI Key PEEIBZAYFAUUCT-YFNVTMOMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

593.7
MW (Da)
-1.68
ALogP
9
HBA
6
HBD
194.2
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H39N5O8S
MW 593.70
Aromatic Rings 1
Heavy Atoms 41
NP-Likeness 0.82

Literature References

PubMed DOI Target Context # Activities
20669927 10.1021/jm901742e Unchecked 2
23294220 10.1021/jm3014635 Unchecked 2
31658413 10.1021/acs.jmedchem.9b00798 Unchecked 2

Data from ChEMBL 36 via Core Engine