Structure

InChI Key WESWYMRNZNDGBX-UHFFFAOYSA-N
Smile Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1
InChI
InChI=1S/C17H16F6N2O.ClH/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11;/h3-5,8,12,15,24,26H,1-2,6-7H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H17ClF6N2O
Molecular Weight 414.78
AlogP 4.45
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 45.15
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Ferriprotoporphyrin IX inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphatase
- - - - 54
Enzyme
- - - - 54
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 5623 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
28.44
Nervous system disorders
24.96
General disorders and administration site conditions
12.01
Gastrointestinal disorders
4.9
Cardiac disorders
4.27
Ear and labyrinth disorders
3.32
Eye disorders
3.32
Vascular disorders
2.84
Injury, poisoning and procedural complications
2.69
Musculoskeletal and connective tissue disorders
2.53
Skin and subcutaneous tissue disorders
2.37

Cross References

Resources Reference
ChEBI 63687
ChEMBL CHEMBL535650
FDA SRS 5Y9L3636O3
Guide to Pharmacology 4252
KEGG C07633
SureChEMBL SCHEMBL41095
ZINC ZINC00897085