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Compound Detail

CHEMBL328684

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C[C@H]1C[C@H]1C1=N[C@H](/C=C\CCc2ccccc2)CS1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL328684
Phase Preclinical
Structure Type MOL
InChI Key DZWZMINERXHIJR-YSVOVDGGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
4.35
ALogP
2
HBA
0
HBD
12.4
PSA (Ų)
0.73
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 C17H21NS
MW 271.43
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.52

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