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Compound Detail

CHEMBL1089314

3,6 BISMETHYL(THIOCYCLO)ALANYLTRYPTOPHYL
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CS[C@]1(C)NC(=O)[C@](Cc2c[nH]c3ccccc23)(SC)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1089314
Name 3,6 BISMETHYL(THIOCYCLO)ALANYLTRYPTOPHYL
Phase Preclinical
Structure Type MOL
InChI Key WZCXTZDWTILORX-HOTGVXAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

349.5
MW (Da)
2.09
ALogP
4
HBA
3
HBD
74.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3O2S2
MW 349.48
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.74

Literature References

PubMed DOI Target Context # Activities
20303767 10.1016/j.bmc.2010.02.034 Unchecked 2
20303767 10.1016/j.bmc.2010.02.034 Trypanosoma brucei brucei 1
20303767 10.1016/j.bmc.2010.02.034 Rhodesain 1
20303767 10.1016/j.bmc.2010.02.034 Jurkat 1

Data from ChEMBL 36 via Core Engine