General Property |
Molceule ID (DB) | EGIN0003676 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 5u compound |
IUPAC Name | 4-N-(3-bromophenyl)-6-N-[2-(1H-imidazol-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine |
Formula | C18H16BrN7 |
Mass | 410.271 |
Exact Mass | 409.0650562 |
Composition | C (52.7%), H (3.93%), Br (19.48%), N (23.9%) |
Atom Count | 42 |
PI | 10.5 |
Smiles | c1(c2c(ncn1)cnc(c2)NCCc1nc[nH]c1)Nc1cc(Br)ccc1 |
InChI | 1S/C18H16BrN7/c19-12-2-1-3-13(6-12)26-18-15-7-17(22-9-16(15)24-11-25-18)21-5-4-14-8-20-10-23-14/h1-3
,6-11H,4-5H2,(H,20,23)(H,21,22)(H,24,25,26) |
InChIKey | JKSUBOCXWXIPAH-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 9513602 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 4485532 |
ChEMBL Link | CHEMBL162142 |