Details of the Drug

General Information of Drug (ID: DMCDLTV)

Drug Name

H-Cdp-ser-Gly-Phe-Leu-Thr-OH

Synonyms

CHEMBL247760; H-Cdp-ser-Gly-Phe-Leu-Thr-OH

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): 5

Molecular Weight (mw)

741.8

Logarithm of the Partition Coefficient (xlogp)

-3

Rotatable Bond Count (rotbonds)

20

Hydrogen Bond Donor Count (hbonddonor)

10

Hydrogen Bond Acceptor Count (hbondacc)

11

Chemical Identifiers

Formula: C36H51N7O10
IUPAC Name: (2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid
Canonical SMILES: CC1=CC(=CC(=C1C[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)N)C)C(=O)N
InChI: InChI=1S/C36H51N7O10/c1-18(2)11-26(35(51)43-30(21(5)45)36(52)53)41-34(50)27(14-22-9-7-6-8-10-22)40-29(46)16-39-33(49)28(17-44)42-32(48)25(37)15-24-19(3)12-23(31(38)47)13-20(24)4/h6-10,12-13,18,21,25-28,30,44-45H,11,14-17,37H2,1-5H3,(H2,38,47)(H,39,49)(H,40,46)(H,41,50)(H,42,48)(H,43,51)(H,52,53)/t21-,25+,26+,27+,28+,30+/m1/s1
InChIKey: OCIDAPABHMBEIS-VVPQYXBXSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Opioid receptor mu (MOP)	DTT	OPRM1	5.94E-01	-0.02	-0.17
Opioid receptor delta (OPRD1)	DTT	OPRD1	5.52E-01	0.03	0.23

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Further studies of tyrosine surrogates in opioid receptor peptide ligands. Bioorg Med Chem Lett. 2007 May 1;17(9):2656-60.