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Compound Detail

CHEMBL370909

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c1ccc2cc(-c3ccc(-c4cn5c6c(sc5n4)CCCC6)cc3)ccc2c1

Basic Information

ChEMBL ID CHEMBL370909
Phase Preclinical
Structure Type MOL
InChI Key MDDWCCPFRCLFDM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
6.76
ALogP
3
HBA
0
HBD
17.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20N2S
MW 380.52
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -1.25

Activity Summary

EC50 1 meas. best 5.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
EC50 5.32 5.32 4770.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus EC50 = 4770.0 nM 5.32 Concentration required to inhibit dexamethasone-induced death of mice thymocytes 16190767

Literature References

PubMed DOI Target Context # Activities
16190767 10.1021/jm0502034 Mus musculus 2
16190767 10.1021/jm0502034 Unchecked 1

Data from ChEMBL 36 via Core Engine