Details of the Drug

General Information of Drug (ID: DM3BDHN)

• Drug Name: US10081632, Compound 25
• Synonyms: SCHEMBL19252896; BDBM286094; US10081632, Compound 25; Synthesis of (R) inverted question markN-(1-(4-aminobenzyl)-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide hydrochloride salt
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 415.4
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H21N7O2
  IUPAC Name: (13R)-N-[1-[(4-aminophenyl)methyl]pyrazol-4-yl]-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
  Canonical SMILES: C[C@@H]1CNC(=O)C2=CC3=C(N12)N=C(C=C3)C(=O)NC4=CN(N=C4)CC5=CC=C(C=C5)N
  InChI: InChI=1S/C22H21N7O2/c1-13-9-24-22(31)19-8-15-4-7-18(27-20(15)29(13)19)21(30)26-17-10-25-28(12-17)11-14-2-5-16(23)6-3-14/h2-8,10,12-13H,9,11,23H2,1H3,(H,24,31)(H,26,30)/t13-/m1/s1
  InChIKey: IBOJVZMIACTCIV-CYBMUJFWSA-N
• Cross-matching ID:
  PubChem CID: 130338820
  TTD ID: D0X7ZB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ribosomal protein S6 kinase alpha-6 (RSK6)	TT3KYWB	KS6A6_HUMAN	Inhibitor	[1]

References

• [1] Substituted tetrahydropyrido[3,2:4,5]pyrrolo[1,2-a]pyrazine-2-carboxamides as RSK inhibitors. US9771366.