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Compound Detail

CHEMBL314904

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C/C=C/CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL314904
Phase Preclinical
Structure Type MOL
InChI Key XFMMTWJCZQWKLA-YNBYIRAWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

235.4
MW (Da)
4.07
ALogP
2
HBA
0
HBD
12.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H21NS
MW 235.40
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 2.21

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10055-5 Tubulin alpha chain 2
- 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