MK-1064

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: O812716S9E

Structure
InChI Key CKTWQGHVNRYNCM-UHFFFAOYSA-N
Smile COc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccn2)nc1OC
InChI
InChI=1S/C24H20ClN5O3/c1-32-21-7-6-18(30-24(21)33-2)14-29-23(31)19-10-16(15-9-17(25)13-26-11-15)12-28-22(19)20-5-3-4-8-27-20/h3-13H,14H2,1-2H3,(H,29,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H20ClN5O3
Molecular Weight 461.91
AlogP 4.2
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 99.12
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

Primary Target
OX2 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 28000 - 9500 -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Orexin receptor
- 1789 - 1-1 -

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1207253-08-4
ChEMBL CHEMBL3338866
DrugBank DB15028
FDA SRS O812716S9E
Guide to Pharmacology 9306
PubChem 44633765
SureChEMBL SCHEMBL3486358
ZINC ZINC000068201066
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