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Compound Detail

CHEMBL89824

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Cc1ccnc(C[S+]([O-])c2nc3cc(OC(C)C)ccc3[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL89824
Phase Preclinical
Structure Type MOL
InChI Key AOPSFZOOTUCVHF-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.36
ALogP
4
HBA
1
HBD
73.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N3O2S
MW 329.43
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.12

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11128645 10.1016/s0960-894x(00)00539-4 Receptor-type tyrosine-protein phosphatase C 1

Data from ChEMBL 36 via Core Engine