(4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl)-imidazo[1,2-a]pyridine

ID: ALA230872

Chembl Id: CHEMBL230872

PubChem CID: 10551197

Max Phase: Preclinical

Molecular Formula: C27H30N4O2

Molecular Weight: 442.56

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  COc1ccccc1N1CCN(CCCOc2ccc(-c3cn4ccccc4n3)cc2)CC1

Standard InChI:  InChI=1S/C27H30N4O2/c1-32-26-8-3-2-7-25(26)30-18-16-29(17-19-30)14-6-20-33-23-12-10-22(11-13-23)24-21-31-15-5-4-9-27(31)28-24/h2-5,7-13,15,21H,6,14,16-20H2,1H3

Standard InChI Key:  LNFJZMYMJHIQPZ-UHFFFAOYSA-N

Associated Targets(Human)

DRD2 Tclin Dopamine D2 receptor (23596 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD3 Tclin Dopamine D3 receptor (14368 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD2 Tclin Dopamine receptors; D2 & D3 (635 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 442.56Molecular Weight (Monoisotopic): 442.2369AlogP: 4.60#Rotatable Bonds: 8
Polar Surface Area: 42.24Molecular Species: NEUTRALHBA: 6HBD:
#RO5 Violations: HBA (Lipinski): 6HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 7.62CX LogP: 4.29CX LogD: 3.87
Aromatic Rings: 4Heavy Atoms: 33QED Weighted: 0.37Np Likeness Score: -1.88

References

1. Leopoldo M, Lacivita E, Passafiume E, Contino M, Colabufo NA, Berardi F, Perrone R..  (2007)  4-[omega-[4-arylpiperazin-1-yl]alkoxy]phenyl)imidazo[1,2-a]pyridine derivatives: fluorescent high-affinity dopamine D3 receptor ligands as potential probes for receptor visualization.,  50  (20): [PMID:17850060] [10.1021/jm070721+]

Source