pamiparib   Click here for help

GtoPdb Ligand ID: 12345

Synonyms: BGB-290 | BGB290 | compound 139 [PMID: 33264017] | Partruvix®
Approved drug PDB Ligand
pamiparib is an approved drug (China (2021))
Compound class: Synthetic organic
Comment: Pamiparib (BGB-290) is an orally bioavailable, selective poly (ADP-ribose) polymerase 1 and 2 (PARP1 and PARP2) inhibitor [2]. It was developed for antineoplastic potential. PARP inhibition is used to treat tumours with defects in their DNA repair/DNA-damage response (DDR) pathway, such as BRCA 1/2 (BReast CAncer gene 1 and 2) mutations. Pamiparib can cross the blood-brain barrier, offering potential as a treatment for brain tumours [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 64.78
Molecular weight 298.12
XLogP 2.05
No. Lipinski's rules broken 0
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Canonical SMILES Fc1cc2[nH]c3c4c2c(c1)c(=O)[nH]nc4CN1[C@]3(C)CCC1
Isomeric SMILES C[C@]12CCCN1Cc1n[nH]c(=O)c3c4c1c2[nH]c4cc(c3)F
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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (China (2021))
International Nonproprietary Names Click here for help
INN number INN
10556 pamiparib
Synonyms Click here for help
BGB-290 | BGB290 | compound 139 [PMID: 33264017] | Partruvix®
Database Links Click here for help
CAS Registry No. 1446261-44-4 (source: WHO INN record)
ChEMBL Ligand CHEMBL4112930
DrugBank Ligand DB14769
GtoPdb PubChem SID 479821136
PubChem CID 135565554
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