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Compound Detail

CHEMBL2296750

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CCCCCNC(=O)[C@H](Cc1ccc(C2=CS(=O)(=O)NC2=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2296750
Phase Preclinical
Structure Type MOL
InChI Key PRSOVSXLJYVMQB-CONSDPRKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

660.8
MW (Da)
2.80
ALogP
7
HBA
4
HBD
159.8
PSA (Ų)
0.17
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H40N4O7S
MW 660.79
Aromatic Rings 3
Heavy Atoms 47
NP-Likeness -0.31

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0349-7 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine