Details of the Drug

General Information of Drug (ID: DM1NT5G)

Drug Name

H-Tyr-NMe-D-Ala-Phe-Sar-NH2

Synonyms

CHEMBL260120

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)

483.6

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

11

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C25H33N5O5
IUPAC Name: (2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide
Canonical SMILES: C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N(C)CC(=O)N)N(C)C(=O)[C@H](CC2=CC=C(C=C2)O)N
InChI: InChI=1S/C25H33N5O5/c1-16(30(3)24(34)20(26)13-18-9-11-19(31)12-10-18)23(33)28-21(14-17-7-5-4-6-8-17)25(35)29(2)15-22(27)32/h4-12,16,20-21,31H,13-15,26H2,1-3H3,(H2,27,32)(H,28,33)/t16-,20+,21+/m1/s1
InChIKey: GRHNSLXBGRDMSP-CZAAIQMYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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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 delta (OPRD1)	DTT	OPRD1	5.52E-01	0.03	0.23

Molecular Expression Atlas (MEA)

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References

1	Blood-brain barrier penetration by two dermorphin tetrapeptide analogues: role of lipophilicity vs structural flexibility. J Med Chem. 2008 Apr 24;51(8):2571-4.