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Compound Detail

CHEMBL6032703

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CC(C)CN1C(C)Cc2c(ccc3[nH]ncc23)C1c1ccc(/C=C/C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL6032703
Phase Preclinical
Structure Type MOL
InChI Key CZDSGCCSLPSVEF-IZZDOVSWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
4.65
ALogP
3
HBA
2
HBD
69.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3O2
MW 389.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.25

Activity Summary

IC50 1 meas. best 9.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled estrogen receptor 1
CHEMBL5872
IC50 9.19 9.19 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine