GSK-369796

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key ZVMMVSSEAMUNGI-UHFFFAOYSA-N
Smile CC(C)(C)NCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O
InChI
InChI=1S/C20H22ClN3O/c1-20(2,3)23-12-13-4-6-15(11-19(13)25)24-17-8-9-22-18-10-14(21)5-7-16(17)18/h4-11,23,25H,12H2,1-3H3,(H,22,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22ClN3O
Molecular Weight 355.87
AlogP 5.23
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 57.18
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 29000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 24000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C8
- 23000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 3000 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 7500 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria 1 D008288 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL147806
Guide to Pharmacology 10411
ZINC ZINC000001912685
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