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Compound Detail

CHEMBL4066349

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CN1C(=O)[C@@H]2CN(S(=O)(=O)c3ccc4c(c3)OCO4)C[C@@H]2c2cnccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4066349
Phase Preclinical
Structure Type MOL
InChI Key LEFYMSSRERHTRP-ZIAGYGMSSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
6
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
1.19
ALogP
6
HBA
0
HBD
89.0
PSA (Ų)
0.77
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 C18H17N3O5S
MW 387.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.83

Pharmacokinetic Data

Parameter Value Units Species
CL 151.0 mL.min-1.g-1 Mus musculus

Literature References

PubMed DOI Target Context # Activities
28876062 10.1021/acs.jmedchem.7b00956 Glycine receptor alpha-3/beta 4
28001399 10.1021/acs.jmedchem.6b01496 ADMET 3
28001399 10.1021/acs.jmedchem.6b01496 No relevant target 2
28001399 10.1021/acs.jmedchem.6b01496 Unchecked 2
28001399 10.1021/acs.jmedchem.6b01496 Glycine receptor alpha-3/beta 1
28001399 10.1021/acs.jmedchem.6b01496 Liver 1

Data from ChEMBL 36 via Core Engine