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Compound Detail

CHEMBL4294110

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S=C(N/N=C/c1ccccc1)Nc1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4294110
Phase Preclinical
Structure Type MOL
InChI Key RVWFIRJDRYLREE-CPNJWEJPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
4.16
ALogP
2
HBA
2
HBD
36.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N3S
MW 305.41
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
30389409 10.1016/j.bmc.2018.10.030 Low molecular weight protein-tyrosine phosphatase A 2

Data from ChEMBL 36 via Core Engine