fadraciclib   Click here for help

GtoPdb Ligand ID: 10461

Synonyms: CYC-065 | CYC065
Compound class: Synthetic organic
Comment: Fadraciclib (CYC065) is a cyclin-dependent kinase 2 and 9 inhibitor that is claimed as compound [1] in patent WO2008122767A2 [2]. Structurally CYC065 is a derivative of seliciclib (CYC202). It was developed by Cyclacel for potential to treat proliferative disorders including cancer, leukemia and psoriasis.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 100.78
Molecular weight 397.26
XLogP 3.47
No. Lipinski's rules broken 0
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Canonical SMILES CCC(C(O)C)Nc1nc(NCc2cnc(cc2C)C)c2c(n1)n(cn2)C(C)C
Isomeric SMILES CC[C@@H]([C@H](O)C)Nc1nc(NCc2cnc(cc2C)C)c2c(n1)n(cn2)C(C)C
InChI InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11085 fadraciclib
Synonyms Click here for help
CYC-065 | CYC065
Database Links Click here for help
BindingDB Ligand 106950
CAS Registry No. 1070790-89-4 (source: WHO INN record)
ChEMBL Ligand CHEMBL3655762
GtoPdb PubChem SID 385612221
PubChem CID 24983461
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