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SID11112589 ID: ALA1323355
Chembl Id: CHEMBL1323355
Cas Number: 7104-38-3
PubChem CID: 165002
Max Phase: Preclinical
Molecular Formula: C19H24N2OS
Molecular Weight: 328.48
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Synonyms: Dextromepromazine | Dextromepromazine|2622-31-3|(2S)-3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine|CHEMBL1323355|10H-Phenothiazine-10-propanamine, 2-methoxy-N,N,beta-trimethyl-, (betaS)-|Dextro Mepromazine Maleate|d-Methotrimeprazine|(+)-Methotrimeprazine|NCGC00016681-01|CAS-7104-38-3|SCHEMBL23859840|BDBM50339137|(S)-2-Methoxy-N,N,beta-trimethyl-10H-phenothiazine-10-propanamine|(2S)-3-(2-methoxyphenothiazin-10-yl)-N, N, 2-trimethylpropan-1-amine|10H-Phenothiazine-10-propanamine, Show More⌵
Canonical SMILES: COc1ccc2c(c1)N(C[C@@H](C)CN(C)C)c1ccccc1S2
Standard InChI: InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m0/s1
Standard InChI Key: VRQVVMDWGGWHTJ-AWEZNQCLSA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: YesOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: 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: 328.48Molecular Weight (Monoisotopic): 328.1609AlogP: 4.50#Rotatable Bonds: 5Polar Surface Area: 15.71Molecular Species: BASEHBA: 4HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 3HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 9.42CX LogP: 4.25CX LogD: 2.24Aromatic Rings: 2Heavy Atoms: 23QED Weighted: 0.80Np Likeness Score: -1.00
References 1. PubChem BioAssay data set, 2. Kolaczkowski M, Kolaczkowska A, Motohashi N, Michalak K.. (2009) New high-throughput screening assay to reveal similarities and differences in inhibitory sensitivities of multidrug ATP-binding cassette transporters., 53 (4): [PMID:19188399 ] [10.1128/aac.00956-08 ]