PF-04620110

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Synonyms
Status
Molecule Category Free-form
UNII CQ4M18RLJW

Structure

InChI Key GEVVQZHMFVFGLN-HDJSIYSDSA-N
Smiles Nc1ncnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc1)CCO2
InChI
InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14-

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H24N4O4
Molecular Weight 396.45
AlogP 2.85
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 118.64
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 8-90 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 8-90 - - -
Mus musculus
- 88 - - 94
Rattus norvegicus
- 64 - - -

Cross References

Resources Reference
ChEMBL CHEMBL1835919
DrugBank DB14887
FDA SRS CQ4M18RLJW
Guide to Pharmacology 7829
SureChEMBL SCHEMBL1424359
ZINC ZINC000116139756
CONTENTS