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(rac)-2-[4-(Benzyloxy)phenyl]-3-hydroxypropyl 2-phenylacetate

ID: ALA3632675

Chembl Id: CHEMBL3632675

PubChem CID: 122194654

Max Phase: Preclinical

Molecular Formula: C24H24O4

Molecular Weight: 376.45

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: O=C(Cc1ccccc1)OCC(CO)c1ccc(OCc2ccccc2)cc1

Standard InChI: InChI=1S/C24H24O4/c25-16-22(18-28-24(26)15-19-7-3-1-4-8-19)21-11-13-23(14-12-21)27-17-20-9-5-2-6-10-20/h1-14,22,25H,15-18H2

Standard InChI Key: QWEMZZCPRQAYMZ-UHFFFAOYSA-N

PRKCA Tchem Protein kinase C alpha (5923 Activities)

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

PRKCD Tclin Protein kinase C delta (2953 Activities)

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

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

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

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

Molecular Weight: 376.45	Molecular Weight (Monoisotopic): 376.1675	AlogP: 4.13	#Rotatable Bonds: 9
Polar Surface Area: 55.76	Molecular Species: NEUTRAL	HBA: 4	HBD: 1
#RO5 Violations: 0	HBA (Lipinski): 4	HBD (Lipinski): 1	#RO5 Violations (Lipinski): 0
CX Acidic pKa:	CX Basic pKa:	CX LogP: 4.31	CX LogD: 4.31
Aromatic Rings: 3	Heavy Atoms: 28	QED Weighted: 0.57	Np Likeness Score: -0.13

1. Rossi D, Talman V, Gennas GBA, Marra A, Picconi P, Nasti R, Serra M, Ann J, Amadio M, Pascale A, Tuominen RK, Yli-Kauhaluoma J, Lee J, Collina S. (2015) Beyond the affinity for protein kinase C: exploring 2-phenyl-3-hydroxypropyl pivalate analogues as C1 domain-targeting ligands, 6 (4): [10.1039/C4MD00564C]
2. Rossi D, Talman V, Gennas GBA, Marra A, Picconi P, Nasti R, Serra M, Ann J, Amadio M, Pascale A, Tuominen RK, Yli-Kauhaluoma J, Lee J, Collina S. (2015) Beyond the affinity for protein kinase C: exploring 2-phenyl-3-hydroxypropyl pivalate analogues as C1 domain-targeting ligands, 6 (4): [10.1039/C4MD00564C]
3. Rossi D, Talman V, Gennas GBA, Marra A, Picconi P, Nasti R, Serra M, Ann J, Amadio M, Pascale A, Tuominen RK, Yli-Kauhaluoma J, Lee J, Collina S. (2015) Beyond the affinity for protein kinase C: exploring 2-phenyl-3-hydroxypropyl pivalate analogues as C1 domain-targeting ligands, 6 (4): [10.1039/C4MD00564C]

Source(1):