Details of the Drug

General Information of Drug (ID: DMXB7G5)

Drug Name

L-054852

Indication

Disease Entry	ICD 11	Status	REF
Acromegaly	5A60.0	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

561.8

Logarithm of the Partition Coefficient (xlogp)

5.4

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C32H43N5O2S
IUPAC Name: N-[1-[[1-(2-aminoethylsulfanyl)-2-methylpropyl]amino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
Canonical SMILES: CC(C)C(NC(=O)C(C(C)C1=CNC2=CC=CC=C21)NC(=O)N3CCC4(CCC5=CC=CC=C54)CC3)SCCN
InChI: InChI=1S/C32H43N5O2S/c1-21(2)30(40-19-16-33)36-29(38)28(22(3)25-20-34-27-11-7-5-9-24(25)27)35-31(39)37-17-14-32(15-18-37)13-12-23-8-4-6-10-26(23)32/h4-11,20-22,28,30,34H,12-19,33H2,1-3H3,(H,35,39)(H,36,38)
InChIKey: UDRSIUYQZOTMRD-UHFFFAOYSA-N