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Compound Detail

CHEMBL4068493

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CC1(N)CCN(c2nc(-c3cc4ccccc4s3)cs2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4068493
Phase Preclinical
Structure Type MOL
InChI Key XUZFOSCJUCXIGH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

329.5
MW (Da)
4.34
ALogP
5
HBA
1
HBD
42.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N3S2
MW 329.49
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
29155585 10.1021/acs.jmedchem.7b01520 Tyrosine-protein phosphatase non-receptor type 11 3
29155585 10.1021/acs.jmedchem.7b01520 Unchecked 1

Data from ChEMBL 36 via Core Engine