NTQ1062   Click here for help

GtoPdb Ligand ID: 12112

Synonyms: compound 22b [PMID: 35679512] | NTQ-1062
Compound class: Synthetic organic
Comment: NTQ1062 is a potent and oprally bioavailable inhibitor of Akt family protein kinases, that has potent antitumour efficacies in vitro and in vivo [1]. It is an onclolgy clinical lead.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 90.46
Molecular weight 482.22
XLogP 3.04
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES CC(NC[C@@H](C(=O)N1CCN([C@@H]2[C@H]1C2)c1ncnc2c1[C@H](C)CC(=O)N2)c1ccc(cc1)Cl)C
Isomeric SMILES O=C(N1[C@H]2[C@H](C2)N(c2c3c(NC(=O)C[C@H]3C)ncn2)CC1)[C@H](CNC(C)C)c1ccc(Cl)cc1
InChI InChI=1S/C25H31ClN6O2/c1-14(2)27-12-18(16-4-6-17(26)7-5-16)25(34)32-9-8-31(19-11-20(19)32)24-22-15(3)10-21(33)30-23(22)28-13-29-24/h4-7,13-15,18-20,27H,8-12H2,1-3H3,(H,28,29,30,33)/t15-,18-,19+,20-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 22b [PMID: 35679512] | NTQ-1062
Database Links Click here for help
GtoPdb PubChem SID 472319234
PubChem CID 154663238
Search Google for chemical match using the InChIKey RXNPEQZHMGFNAY-GEALJGNFSA-N
Search Google for chemicals with the same backbone RXNPEQZHMGFNAY
UniChem Compound Search for chemical match using the InChIKey RXNPEQZHMGFNAY-GEALJGNFSA-N
UniChem Connectivity Search for chemical match using the InChIKey RXNPEQZHMGFNAY-GEALJGNFSA-N