Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL91881

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCCCCCCCC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL91881
Phase Preclinical
Structure Type MOL
InChI Key GJSZJSJGDUIXBS-JYEFFYACSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

335.6
MW (Da)
7.02
ALogP
2
HBA
0
HBD
12.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H37NS
MW 335.60
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 1.45

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10055-5 Tubulin alpha chain 2
11960501 10.1021/jm0105171 Tubulin 1
- 10.1016/S0960-894X(97)10055-5 NCI-H69 1
- 10.1016/S0960-894X(97)10055-5 PC-9 1
- 10.1016/S0960-894X(97)10055-5 WiDr 1

Data from ChEMBL 36 via Core Engine