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Compound Detail

CHEMBL371275

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Fc1ccc2c(c1)CC/C2=C/c1ccnc2ccccc12

Basic Information

ChEMBL ID CHEMBL371275
Phase Preclinical
Structure Type MOL
InChI Key AUUSWOKRVZVKTK-QBFSEMIESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
4.86
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14FN
MW 275.33
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome P450 11B2, mitochondrial
CHEMBL2722
IC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15743198 10.1021/jm0492397 Cytochrome P450 11B2, mitochondrial 2
15743198 10.1021/jm0492397 Steroid 17-alpha-hydroxylase/17,20 lyase 1
15743198 10.1021/jm0492397 Cytochrome P450 11B1, mitochondrial 1
15743198 10.1021/jm0492397 Aromatase 1

Data from ChEMBL 36 via Core Engine