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Compound Detail

CHEMBL3728058

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CCc1cc2c(c3ccc(C(=O)CBr)cc13)CCCC2

Basic Information

ChEMBL ID CHEMBL3728058
Phase Preclinical
Structure Type MOL
InChI Key RPZCQYBKVFZDLR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.2
MW (Da)
4.86
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19BrO
MW 331.25
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.10

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2
CHEMBL3883319
IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine