Details of the Drug

General Information of Drug (ID: DMWUK9G)

• Drug Name: MPrP

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 467.6
  Logarithm of the Partition Coefficient (xlogp); 6.4
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C30H33N3O2
  IUPAC Name: 4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol
  Canonical SMILES: CC1=C(N(N=C1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)CCCN5CCCCC5
  InChI: InChI=1S/C30H33N3O2/c1-22-29(24-11-15-27(34)16-12-24)31-33(26-13-17-28(35)18-14-26)30(22)25-9-7-23(8-10-25)6-5-21-32-19-3-2-4-20-32/h7-18,34-35H,2-6,19-21H2,1H3
  InChIKey: XXRGLZUCVWZDBP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 135857091
  TTD ID: D07TGW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estrogen receptor (ESR)	TTZAYWL	ESR1_HUMAN	Inhibitor	[1]

References

• [1] Analogs of methyl-piperidinopyrazole (MPP): antiestrogens with estrogen receptor alpha selective activity. Bioorg Med Chem Lett. 2009 Jan 1;19(1):108-10.