Explore
Home 
Literature 
Links 
Posts 
Molecules 
Blogs 
Zeitgeist 
Markup Help 
News 

To have your blog items show up on this page, use the semantic markup for InChI's and SMILES, using microformats or RDFa. For example, write <span class="chem:smiles">CCCOC<span> instead of just CCCOC, or <span class="chem:inchi">InChI=1/bla<span> instead of InChI=1/bla.

etravirine
InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)
PubChem: 193962
[CML][RDF]

Posts

ATC code (partial): J05AG On May 20th, the FDA approved Rilpivirine (Tradename: Edurant; Research Code: TMC-278), an HIV-1 Non-nucleoside reverse transcriptase inhibitor (NNRTI), for the treatment of HIV infection in treatment naive patients in combination...
delavirdine
InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
PubChem: 5625
[CML][RDF]

Posts

ATC code (partial): J05AG On May 20th, the FDA approved Rilpivirine (Tradename: Edurant; Research Code: TMC-278), an HIV-1 Non-nucleoside reverse transcriptase inhibitor (NNRTI), for the treatment of HIV infection in treatment naive patients in combination...
murexide
InChI=1S/C8H5N5O6.H3N/c14-3-1(4(15)11-7(18)10-3)9-2-5(16)12-8(19)13-6(2)17;/h(H2,10,11,14,15,18)(H3,12,13,16,17,19);1H3
PubChem: 18275
[RDF]

Posts

About a month ago, I participated in a national chemistry contest, ChimeXpert for which I had to make a scientific poster based on my personal observations regarding a certain area of applied chemistry. As a consequence, I tried to find a subject close to my...
InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-2

Posts

On May 1, 2011 I presented "Accelerating Discovery by Sharing: a case for Open Notebook Science" at the National Breast Cancer Coalition Annual Advocacy Conference in Arlington, VA. This was the first year where they had a session on an Open Science related...
InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31

Posts

One of the major objectives of the International Year of Chemistry is to make sure the public has a realistic and well-informed understanding of the basic features and functions of chemistry in their world. Perhaps no other aspect of the discipline is as important...
dehydroepiandrosterone
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
PubChem: 5881
[CML][RDF]

Posts

ATC code (partial): G03  On 28th April 2011, the FDA approved Abiraterone acetate (Brand name ZytigaTM) for the treatment of castrate-resistant prostate cancer (CRPC). Specifically, it is indicated for use in combination with prednisone for the treatment...
androstenedione
InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
PubChem: 6128
[CML][RDF]

Posts

ATC code (partial): G03  On 28th April 2011, the FDA approved Abiraterone acetate (Brand name ZytigaTM) for the treatment of castrate-resistant prostate cancer (CRPC). Specifically, it is indicated for use in combination with prednisone for the treatment...
testosterone
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
PubChem: 6013
[CML][RDF]

Posts

ATC code (partial): G03  On 28th April 2011, the FDA approved Abiraterone acetate (Brand name ZytigaTM) for the treatment of castrate-resistant prostate cancer (CRPC). Specifically, it is indicated for use in combination with prednisone for the treatment...
diborane
InChI=1S/B2H6/c1-3-2-4-1/h1-2H2
PubChem: -1
[RDF]

Posts

Since we were speaking of chemical hedgehogs and foxes the other day, here's a remarkable fox who we forgot to mention, and it's unfortunate that I was reminded of him by his obituary.William Lipscomb undoubtedly belongs to the top of the fox list. Lipscomb...
international chemical identifier
InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3
PubChem: -1
[RDF]

Posts

With the profusion of chemical information on the web in the form of chemical names, images of structures, specific codes (InChI etc), its sometimes very useful to be able to seamlessly retrieve some extra information while browsing a page that contains such...
Unichem is a simple database and web service for the InChI-based linkage of chemical structures across various resources. It was initially developed under the EU-OPENSCREEN ESFRI as an approach to link screening data from the planned screening collection to...
Lately, I’ve been very interested in using my university’s Learning Management System (we use Moodle, others use Blackboard or something else) to administer quizzes to my students, but as an organic chemist, I’ve been hesitant to do so. Primarily...
Here at ChEMBL, we are often contacted by users who are interested in purchasing some of the compounds that we store in our databases. However, our compounds are curated directly from the literature and we do not have access to physical samples. To enable our...
Its a simple and increasingly common question: how can I enable users to search my website by chemical structure? Text search can be done relatively easily, but chemical exact structure and substructure search are considerably more complex. This article offers...
The mcule project was started in last June with very ambitious goals. Several months have passed and you could ask whats happening behind the scenes? And when can I finally start searching/screening/ordering etc. Well, a lot of things happened since last June.Laying...
Developing a molecule database is not a trivial task. There are several problems you have to deal with and they can be handled differently depending on the size, content and purpose of the database. Here I try to provide a list of the most common issues we...
We are pleased to announce that we have updated the ChEMBL RESTful Web Service API (application programming interface) with some more of the features that you the ChEMBL users requested. In particular, we have added support for the: Retrieval of results in...