ID: ALA5219790

Max Phase: Preclinical

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: Yes

Availability: No

Prodrug: No

Properties

Molecular Weight:

Molecular Weight (Monoisotopic):

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. Hill TA, Odell LR, Quan A, Abagyan R, Ferguson G, Robinson PJ, McCluskey A..  (2004)  Long chain amines and long chain ammonium salts as novel inhibitors of dynamin GTPase activity.,  14  (12): [PMID:15149689] [10.1016/j.bmcl.2004.03.096]

2. Calas M, Cordina G, Bompart J, Ben Bari M, Jei T, Ancelin ML, Vial H..  (1997)  Antimalarial activity of molecules interfering with Plasmodium falciparum phospholipid metabolism. Structure-activity relationship analysis.,  40  (22): [PMID:9357523] [10.1021/jm9701886]

3. Necula M, Kayed R, Milton S, Glabe CG..  (2007)  Small molecule inhibitors of aggregation indicate that amyloid beta oligomerization and fibrillization pathways are independent and distinct.,  282  (14): [PMID:17284452] [10.1074/jbc.m608207200]

4. DeMarco CE, Cushing LA, Frempong-Manso E, Seo SM, Jaravaza TA, Kaatz GW..  (2007)  Efflux-related resistance to norfloxacin, dyes, and biocides in bloodstream isolates of Staphylococcus aureus.,  51  (9): [PMID:17576828] [10.1128/aac.00430-07]

5. Fraud S, Campigotto AJ, Chen Z, Poole K..  (2008)  MexCD-OprJ multidrug efflux system of Pseudomonas aeruginosa: involvement in chlorhexidine resistance and induction by membrane-damaging agents dependent upon the AlgU stress response sigma factor.,  52  (12): [PMID:18838593] [10.1128/aac.01072-08]

6. PubChem BioAssay data set, 

7. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, 

8. PubChem BioAssay data set, 

9. PubChem BioAssay data set, 

10. PubChem BioAssay data set, 

11. WHO Anatomical Therapeutic Chemical Classification, 

12. British National Formulary (72nd edition), 

13.  (2012)  Use of dynamin ring stabilizers, 

14. Unpublished dataset, 

Source

Source(7):

• Scientific Literature
• PubChem BioAssays
• Clinical Candidates
• USP Dictionary of USAN and International Drug Names
• Patent Bioactivity Data
• WHO Anatomical Therapeutic Chemical Classification
• British National Formulary