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Compound Detail

CHEMBL70109

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CC(C)CCNCC(S)[C@H](N)Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL70109
Phase Preclinical
Structure Type MOL
InChI Key AUZSLPREFRAUEP-GICMACPYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

266.4
MW (Da)
2.49
ALogP
3
HBA
3
HBD
38.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H26N2S
MW 266.45
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.06

Activity Summary

IC50 2 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.22 5.865 600.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
3184127 10.1021/jm00119a023 Unchecked 2

Data from ChEMBL 36 via Core Engine