ABAMETAPIR

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6UO390AMFB

Structure
InChI Key PTRATZCAGVBFIQ-UHFFFAOYSA-N
Smile Cc1ccc(-c2ccc(C)cn2)nc1
InChI
InChI=1S/C12H12N2/c1-9-3-5-11(13-7-9)12-6-4-10(2)8-14-12/h3-8H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H12N2
Molecular Weight 184.24
AlogP 2.76
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 25.78
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 14.0

Pharmacology

Action Mechanism of Action Reference
SEQUESTERING AGENT Copper sequestering agent PubMed PubMed PubMed FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor
15849-17000 - - - 1015

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lice Infestations 4 D010373 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2205807
DrugBank DB11932
EPA CompTox DTXSID00170095
FDA SRS 6UO390AMFB
PDB EI3
PubChem 15664
SureChEMBL SCHEMBL351152
ZINC ZINC000000403335
CONTENTS