Details of the Drug

General Information of Drug (ID: DMH08O3)

Drug Name

Tyr-Pro-D-(NMe)Phe-D-Pro-NH2

Synonyms

Tyr-Pro-D-(NMe)Phe-D-Pro-NH2; CHEMBL163808

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

535.6

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C29H37N5O5
IUPAC Name: 1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2R)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-methylpyrrolidine-2-carboxamide
Canonical SMILES: CN([C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@@H]2C(=O)N)C(=O)C3CCCN3C(=O)C(CC4=CC=C(C=C4)O)N
InChI: InChI=1S/C29H37N5O5/c1-32(25(18-19-7-3-2-4-8-19)29(39)33-15-5-9-23(33)26(31)36)28(38)24-10-6-16-34(24)27(37)22(30)17-20-11-13-21(35)14-12-20/h2-4,7-8,11-14,22-25,35H,5-6,9-10,15-18,30H2,1H3,(H2,31,36)/t22?,23-,24?,25-/m1/s1
InChIKey: JAKBYSTWCHUQOK-RULIFZQXSA-N