PAMIPARIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 8375F9S90C

Structure

InChI Key DENYZIUJOTUUNY-MRXNPFEDSA-N
Smiles C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
InChI
InChI=1S/C16H15FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6,18H,2-4,7H2,1H3,(H,20,22)/t16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15FN4O
Molecular Weight 298.32
AlogP 2.08
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 60.49
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Poly [ADP-ribose] polymerase 2 inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
0.2-13 0.9-230 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 51
Transporter Primary active transporter ATP-binding cassette ABCG subfamily
- - - - 43
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
0.2-53.8 0.9-230 - - 43-51

Target Conservation

Protein: Poly [ADP-ribose] polymerase-1
Description: Poly [ADP-ribose] polymerase 1
Organism : Homo sapiens
P09874 ENSG00000143799
Protein: Poly [ADP-ribose] polymerase 2
Description: Poly [ADP-ribose] polymerase 2
Organism : Homo sapiens
Q9UGN5 ENSG00000129484

Cross References

Resources Reference
ChEMBL CHEMBL4112930
DrugBank DB14769
FDA SRS 8375F9S90C
PDB DS9
SureChEMBL SCHEMBL15084918
ZINC ZINC000150196116
CONTENTS