CB-5083

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Synonyms
Status
Molecule Category Free-form
UNII 591IV6UL6J

Structure

InChI Key RDALZZCKQFLGJP-UHFFFAOYSA-N
Smiles Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2
InChI
InChI=1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H23N5O2
Molecular Weight 413.48
AlogP 3.51
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 95.06
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 31.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family
- 500 - - -
Transporter Primary active transporter Endoplasmic reticular retrotranslocon family
- 11-680 - 26.1 -38.9-96.5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
146 11-800 - 26.1 -38.9-96.5

Cross References

Resources Reference
ChEMBL CHEMBL3747513
FDA SRS 591IV6UL6J
PDB JDP
PubChem 73051434
SureChEMBL SCHEMBL15421452
ZINC ZINC000208076131
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