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Compound Detail

CHEMBL5991777

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CC(=O)N1CCC(C(C)c2c[nH]nc2-c2ccc3c(c2F)CCC(=O)N3C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5991777
Phase Preclinical
Structure Type MOL
InChI Key HUVLJWOWKSCYTO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
3.49
ALogP
3
HBA
1
HBD
69.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27FN4O2
MW 398.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.79

Activity Summary

EC50 2 meas. best 10.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome P450 11B1, mitochondrial
CHEMBL1908
 EC50 10.31 10.31 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytochrome P450 11B1, mitochondrial EC50 = 0.049 nM 10.31 Inhibition Assay: The expression plasmids contains the ORF for either human/cyno... -

Data from ChEMBL 36 via Core Engine