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Volumn 4, Issue 4, 2009, Pages 680-686

Pharmacological promiscuity: Dependence on compound properties and target specificity in a set of recent roche compounds

Author keywords

Drug discovery; Molecular properties polypharmacology; Promiscuity; Safety pharmacology

Indexed keywords

ANTIINFLAMMATORY AGENT; ANTILIPEMIC AGENT; ANTINEOPLASTIC AGENT; CENTRAL NERVOUS SYSTEM AGENTS;

EID: 65549132575     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.200800411     Document Type: Article
Times cited : (141)

References (40)
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    • (Supplementary Information, Box S3)
    • http://www.nature.com/nrd/journal/v6/n11/extref/nrd2445-s3.pdf (Supplementary Information, Box S3).
  • 30
    • 65549090262 scopus 로고    scopus 로고
    • Solubility measurements were performed according to an in-house-de-veloped method to assess solubility from a 10mM DMSO stock solution. This method is similar to the classical thermodynamic shake-flask solubility assay, with the only difference that DMSO is removed at the beginning by an additional lyophilization step. Therefore, this assay is known as a lyophilized solubility assay (LYSA)
    • Solubility measurements were performed according to an in-house-de-veloped method to assess solubility from a 10mM DMSO stock solution. This method is similar to the classical thermodynamic shake-flask solubility assay, with the only difference that DMSO is removed at the beginning by an additional lyophilization step. Therefore, this assay is known as a lyophilized solubility assay (LYSA).
  • 31
    • 65549128849 scopus 로고    scopus 로고
    • The comparison of positively charged compounds with neutral compounds might be misleading, as the former are intrinsically more soluble, and at the same time more promiscuous
    • The comparison of positively charged compounds with neutral compounds might be misleading, as the former are intrinsically more soluble, and at the same time more promiscuous.
  • 32
    • 65549160198 scopus 로고    scopus 로고
    • Neutral insoluble compounds tend to be even more promiscuous than neutral soluble compounds; this might be explained by the correlation of solubility and lipophilicity, and the connection between lipophilicity and promiscuity
    • Neutral insoluble compounds tend to be even more promiscuous than neutral soluble compounds; this might be explained by the correlation of solubility and lipophilicity, and the connection between lipophilicity and promiscuity.
  • 35
    • 37249023309 scopus 로고    scopus 로고
    • MoKa is a commercially available tool trained with Roche internal measurement data:
    • MoKa is a commercially available tool trained with Roche internal measurement data: F. Milletti, L. Storchi, G. Sforna, G. Cruciani, Gabriele, J. Chem. Inf. Model. 2007, 47, 2172-2181.
    • (2007) J. Chem. Inf. Model. , vol.47 , pp. 2172-2181
    • Milletti, F.1    Storchi, L.2    Sforna, G.3    Gabriele Cruciani, G.4
  • 38
    • 65549160684 scopus 로고    scopus 로고
    • Measurements were performed according to an in-house-developed miniaturized method to measure the shake-flask octanol-water partition coefficient at pH 7.4 (log D)
    • Measurements were performed according to an in-house-developed miniaturized method to measure the shake-flask octanol-water partition coefficient at pH 7.4 (log D).
  • 39
    • 0032568397 scopus 로고    scopus 로고
    • Measurements were performed according to:
    • Measurements were performed according to: M. Kansy, F. Senner, K. J. Gubernator, J. Med. Chem. 1998, 41, 1007-1010.
    • (1998) J. Med. Chem. , vol.41 , pp. 1007-1010
    • Kansy, M.1    Senner, F.2    Gubernator, K.J.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.