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Compound Detail

CHEMBL88531

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

Basic Information

ChEMBL ID CHEMBL88531
Phase Preclinical
Structure Type MOL
InChI Key ABDZABIBSBAXPA-XHMZZEABSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

275.5
MW (Da)
5.02
ALogP
2
HBA
0
HBD
12.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25NS
MW 275.46
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 2.45

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