Details of the Drug

General Information of Drug (ID: DMIZB25)

Drug Name

Tyr-Sar-Phe-D-2-Nal-NH2

Synonyms

CHEMBL254926; Tyr-Sar-Phe-D-2-Nal-NH2

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): 2

Molecular Weight (mw)

595.7

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

13

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C34H37N5O5
IUPAC Name: (2S)-2-amino-N-[2-[[(2S)-1-[[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
Canonical SMILES: CN(CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N)C(=O)[C@H](CC4=CC=C(C=C4)O)N
InChI: InChI=1S/C34H37N5O5/c1-39(34(44)28(35)18-23-12-15-27(40)16-13-23)21-31(41)37-30(19-22-7-3-2-4-8-22)33(43)38-29(32(36)42)20-24-11-14-25-9-5-6-10-26(25)17-24/h2-17,28-30,40H,18-21,35H2,1H3,(H2,36,42)(H,37,41)(H,38,43)/t28-,29+,30-/m0/s1
InChIKey: GNWOYARHUGPZGJ-JBOQNHBVSA-N