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Compound Detail

CHEMBL440

THIAMYLAL
💊 Approved Drug
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💊 Approved Drug
C=CCC1(C(C)CCC)C(=O)NC(=S)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL440
Name THIAMYLAL
Phase Approved
Structure Type MOL
InChI Key XLOMZPUITCYLMJ-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

NSC-120815 Thiamylal
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
2
Known Names

Molecular Properties

254.3
MW (Da)
1.52
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1982
Availability Discontinued
Chirality Racemic

Routes of Administration

Parenteral

Flags

Natural Product

Extended Properties

Molecular Formula C12H18N2O2S
MW 254.35
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.30

Literature References

PubMed DOI Target Context # Activities
6864729 10.1021/jm00361a014 No relevant target 2
533876 10.1021/jm00197a005 No relevant target 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
6864729 10.1021/jm00361a014 Oryctolagus cuniculus 1
6864729 10.1021/jm00361a014 NON-PROTEIN TARGET 1
6864729 10.1021/jm00361a014 Rattus norvegicus 1
533876 10.1021/jm00197a005 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine