CT-7001

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Synonyms
Status
Molecule Category Free-form
UNII 46D4HS9ODA

Structure

InChI Key YCVGLKWJKIKVBI-MJGOQNOKSA-N
Smiles CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12
InChI
InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H30N6O
Molecular Weight 394.52
AlogP 2.85
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 86.51
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 620-620 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK7 subfamily
- 40-925 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 40-925 - - -

Cross References

Resources Reference
ChEMBL CHEMBL4297488
DrugBank DB16061
FDA SRS 46D4HS9ODA
Guide to Pharmacology 9903
PDB I74
SureChEMBL SCHEMBL17032274
ZINC ZINC000584905775
CONTENTS