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Compound Detail

CHEMBL2110839

DORASTINE
🧪 Phase II
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🧪 Phase II
Cc1ccc(CCn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cn1

Basic Information

ChEMBL ID CHEMBL2110839
Name DORASTINE
Phase Phase II
Structure Type MOL
InChI Key WCTGYFWVYBPRGF-UHFFFAOYSA-N

Known Names

Dorastina Dorastine NSC-306726
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
3
Known Names

Molecular Properties

339.9
MW (Da)
4.23
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -astine
USAN Year 1970

Extended Properties

Molecular Formula C20H22ClN3
MW 339.87
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.22

Activity Summary

IC50 2 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.38 4.89 4201.4 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine