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Compound Detail

CHEMBL6064787

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Oc1ccc2c(c1)CC[C@@H](c1ccccc1)[C@H]2c1ccc(NC2CN(CCCF)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6064787
Phase Preclinical
Structure Type MOL
InChI Key HGBVONXGNAFKQD-XTEPFMGCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
5.71
ALogP
3
HBA
2
HBD
35.5
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31FN2O
MW 430.57
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.13

Activity Summary

EC50 1 meas. best 7.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor
CHEMBL206
 EC50 7.86 7.86 13.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Estrogen receptor EC50 = 13.8 nM 7.86 Biological Evaluation: The relative efficacies of Formula I compounds as inhibit... -

Data from ChEMBL 36 via Core Engine