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Compound Detail

CHEMBL4448848

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COc1ccccc1S(=O)(=O)/C=C/c1cncnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4448848
Phase Preclinical
Structure Type MOL
InChI Key QDFZHAZPUKFRPD-VOTSOKGWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
1.93
ALogP
5
HBA
0
HBD
69.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2O3S
MW 276.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
30540174 10.1021/acs.jmedchem.8b01527 BV-2 2
30540174 10.1021/acs.jmedchem.8b01527 Nuclear factor erythroid 2-related factor 2 1
30540174 10.1021/acs.jmedchem.8b01527 Cytochrome P450 2C19 1
30540174 10.1021/acs.jmedchem.8b01527 Cytochrome P450 2D6 1
30540174 10.1021/acs.jmedchem.8b01527 Cytochrome P450 2C9 1
30540174 10.1021/acs.jmedchem.8b01527 Cytochrome P450 1A2 1
30540174 10.1021/acs.jmedchem.8b01527 Cytochrome P450 3A4 1
30540174 10.1021/acs.jmedchem.8b01527 ADMET 1

Data from ChEMBL 36 via Core Engine