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Compound Detail

CHEMBL327770

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CCCCCCc1ccc(CC/C=C\[C@@H]2CSC([C@@H]3C[C@@H]3C)=N2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL327770
Phase Preclinical
Structure Type MOL
InChI Key ZNJDFVRFRGYJEW-AUXHNBDHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

355.6
MW (Da)
6.47
ALogP
2
HBA
0
HBD
12.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H33NS
MW 355.59
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.36

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