PAMIPARIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8375F9S90C

Structure
InChI Key DENYZIUJOTUUNY-MRXNPFEDSA-N
Smile 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
Number of Rotational Bond 0.0
Polar Surface Area 60.49
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Poly [ADP-ribose] polymerase-1 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
0.2-13 0.83-900 - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 51
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- 19400 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 23900 - - -
Transporter Primary active transporter ATP-binding cassette ABCG subfamily
- - - - 43

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 3 D009369 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Biliary Tract Neoplasms 2 D001661 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Stomach Neoplasms 2 D013274 ClinicalTrials
Carcinoma, Squamous Cell 1 D002294 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Central Nervous System Neoplasms 1 D016543 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials

Cross References

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