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CHEBI:144984 - NSC 23766
| ChEBI ID | CHEBI:144984 |
| ChEBI Name | NSC 23766 |
| Stars | |
| Definition | An aminopyrimidine that is 6-methylpyrimidine-2,4-diamine in which the amino groups at positions 2 and 4 are substituted by 5-(diethylamino)pentan-2-yl and 4-amino-2-methylquinolin-6-yl groups respectively. An inhibitor of the signalling G-protein known as RAC1 (Ras-related C3 botulinum toxin substrate 1). |
| Secondary ChEBI ID | CHEBI:91883 |
| Last Modified | 4 February 2020 |
| Submitter | Gareth Owen |
| Downloads |
| Formula | C24H35N7 |
| Net Charge | 0 |
| Average Mass | 421.593 |
| Monoisotopic Mass | 421.29539 |
| SMILES | CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1 |
| InChI | InChI=1S/C24H35N7/c1-6-31(7-2)12-8-9-16(3)27-24-28-18(5)14-23(30-24)29-19-10-11-22-20(15-19)21(25)13-17(4)26-22/h10-11,13-16H,6-9,12H2,1-5H3,(H2,25,26)(H2,27,28,29,30) |
| InChIKey | DEFBCZWQLILOJF-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | EC 3.6.5.2 (small monomeric GTPase) inhibitor Any EC 3.6.5.* (hydrolases acting on GTP; involved in cellular and subcellular movement) inhibitor that interferes with the action of small monomeric GTPase (EC 3.6.5.2). muscarinic antagonist A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. antiviral agent A substance that destroys or inhibits replication of viruses. |
| Application: | muscarinic antagonist A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| NSC 23766 (CHEBI:144984) has role antiviral agent (CHEBI:22587) |
| NSC 23766 (CHEBI:144984) has role apoptosis inducer (CHEBI:68495) |
| NSC 23766 (CHEBI:144984) has role EC 3.6.5.2 (small monomeric GTPase) inhibitor (CHEBI:144981) |
| NSC 23766 (CHEBI:144984) has role muscarinic antagonist (CHEBI:48876) |
| NSC 23766 (CHEBI:144984) is a aminopyrimidine (CHEBI:38338) |
| NSC 23766 (CHEBI:144984) is a aminoquinoline (CHEBI:36709) |
| NSC 23766 (CHEBI:144984) is a primary amino compound (CHEBI:50994) |
| NSC 23766 (CHEBI:144984) is a secondary amino compound (CHEBI:50995) |
| NSC 23766 (CHEBI:144984) is a tertiary amino compound (CHEBI:50996) |
| Incoming Relation(s) |
| NSC 23766 trihydrochloride (CHEBI:144949) has part NSC 23766 (CHEBI:144984) |
| IUPAC Name |
|---|
| N6-(2-{[5-(diethylamino)pentan-2-yl]amino}-6-methylpyrimidin-4-yl)-2-methylquinoline-4,6-diamine |
| Synonyms | Source |
|---|---|
| N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine | LINCS |
| NSC-23766 | ChEBI |
| NSC23766 | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LSM-1818 | LINCS |
| Citations |
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