Details of the Drug

General Information of Drug (ID: DMAP6CS)

Drug Name
RBN-2397
Synonyms
2381037-82-5; Atamparib; Atamparib [INN]; UNII-B1MW2ME77A; B1MW2ME77A; SCHEMBL21521281; RBN2397; BCP33764; EX-A4038; RBN2397;RBN 2397; NSC825956; s8993; NSC-825956; HY-136174; CS-0120272; 3(2H)-Pyridazinone, 5-(((1S)-1-methyl-2-(3-oxo-3-(4-(5-(trifluoromethyl)-2-pyrimidinyl)-1-piperazinyl)propoxy)ethyl)amino)-4-(trifluoromethyl)-; 5-(((2S)-1-(3-Oxo-3-(4-(5-(trifluoromethyl)pyrimidin-2- yl)piperazin-1-yl)propoxy)propan-2-yl)amino)-4- (trifluoromethyl)pyridazin-3(2H)-one
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 523.4
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 14
Chemical Identifiers
Formula
C20H23F6N7O3
IUPAC Name
4-[[(2S)-1-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
Canonical SMILES
C[C@@H](COCCC(=O)N1CCN(CC1)C2=NC=C(C=N2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F
InChI
InChI=1S/C20H23F6N7O3/c1-12(30-14-10-29-31-17(35)16(14)20(24,25)26)11-36-7-2-15(34)32-3-5-33(6-4-32)18-27-8-13(9-28-18)19(21,22)23/h8-10,12H,2-7,11H2,1H3,(H2,30,31,35)/t12-/m0/s1
InChIKey
UQZCQKXJAXKZQH-LBPRGKRZSA-N
Cross-matching ID
PubChem CID
146047148
ChEBI ID
CHEMBL5095043
CAS Number
2381037-82-5
TTD ID
DJ7K9G
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Protein mono-ADP-ribosyltransferase TIPARP (TIPARP) TT2FRAN PARPT_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT04053673) RBN-2397, an Oral PARP7 Inhibitor, in Patients With Solid Tumors , FIH, MAD Study. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of Ribon Therapeutics.