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Compound Detail

CHEMBL260660

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C[C@]12CCc3c(ccc4ccc(O)cc34)[C@@H]1CC[C@@H]2O

Basic Information

ChEMBL ID CHEMBL260660
Phase Preclinical
Structure Type MOL
InChI Key AKDHICUJXQKBQR-BZSNNMDCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

268.4
MW (Da)
3.74
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20O2
MW 268.36
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 2.17

Activity Summary

Kd 1 meas. best 9.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sex hormone-binding globulin
CHEMBL3305
Kd 9.12 9.12 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18330978 10.1021/jm7011485 Sex hormone-binding globulin 1

Data from ChEMBL 36 via Core Engine