Details of the Drug

General Information of Drug (ID: DM9A1RY)

Drug Name

MORPHICEPTIN

Synonyms

Morphiceptin; Deproceptin; Tyr-pro-phe-pro amide; Tyr-pro-phe-D-pro-NH2; beta-Casomorphine(1-4) amide; NH(4)-Tyr-pro-phe-pro-conh(2); Tyr-Pro-Phe-Pro-NH2; Tyrosyl-prolyl-phenylalanyl-D-prolinamide; UNII-97TZA8ANPC; H-Tyr-Pro-Phe-Pro-NH2; L-Tyrosyl-L-prolyl-L-phenylalanyl-L-prolinamide; 74135-04-9; b-Casomorphin-4-amide; 97TZA8ANPC; CHEMBL362991; L-Prolinamide, L-tyrosyl-L-prolyl-L-phenylalanyl-

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

521.6

Logarithm of the Partition Coefficient (xlogp)

1.3

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C28H35N5O5
IUPAC Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
Canonical SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)N
InChI: InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1
InChIKey: LSQXZIUREIDSHZ-ZJZGAYNASA-N