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Compound Detail

CHEMBL4082537

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O=S(=O)(NC1CCCc2c1[nH]c1ccccc21)c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4082537
Phase Preclinical
Structure Type MOL
InChI Key WRULKKZJFCLCPR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
2.92
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.78
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 C17H17N3O2S
MW 327.41
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
28431342 10.1016/j.ejmech.2017.02.062 Unchecked 1
28431342 10.1016/j.ejmech.2017.02.062 Retinoblastoma-associated protein 1

Data from ChEMBL 36 via Core Engine