JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

྾

Home
Compounds
ALA1453224

SID49640624

ID: ALA1453224

Chembl Id: CHEMBL1453224

PubChem CID: 24746744

Max Phase: Preclinical

Molecular Formula: C22H25NO4

Molecular Weight: 367.45

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: O=C(Nc1ccccc1)C1=C[C@H](c2ccccc2)C[C@H](OCCCCO)O1

Standard InChI: InChI=1S/C22H25NO4/c24-13-7-8-14-26-21-16-18(17-9-3-1-4-10-17)15-20(27-21)22(25)23-19-11-5-2-6-12-19/h1-6,9-12,15,18,21,24H,7-8,13-14,16H2,(H,23,25)/t18-,21+/m0/s1

Standard InChI Key: BGOHOSUKIBQUFI-GHTZIAJQSA-N

Alternative Forms

Parent:

ALA1453224
(2R,4R)-2-(4-hydroxybutoxy)-N,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxamide

Associated Targets(Human)

H4 (3266 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NFE2L2 Tchem Nuclear factor erythroid 2-related factor 2 (95332 Activities)

Discover Target: NFE2L2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

Discover Target: TARDBP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

CDR2 Multidrug resistance protein CDR2 (47 Activities)

Discover Target: CDR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Molecule Features

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

Drug Indications

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Calculated Properties

Molecular Weight: 367.45	Molecular Weight (Monoisotopic): 367.1784	AlogP: 3.83	#Rotatable Bonds: 8
Polar Surface Area: 67.79	Molecular Species: NEUTRAL	HBA: 4	HBD: 2
#RO5 Violations: ┄	HBA (Lipinski): 5	HBD (Lipinski): 2	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 12.63	CX Basic pKa: ┄	CX LogP: 3.28	CX LogD: 3.28
Aromatic Rings: 2	Heavy Atoms: 27	QED Weighted: 0.70	Np Likeness Score: 0.26

References

1. PubChem BioAssay data set,

Source

Source(1):

PubChem BioAssays