Details of the Drug

General Information of Drug (ID: DMOZX0D)

• Drug Name: SB-0304
• Synonyms: SB-0304; CHEMBL409225

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 479.5
  Logarithm of the Partition Coefficient (xlogp); -0.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C25H29N5O5
  IUPAC Name: (2R)-2-[(4S)-4-amino-8-hydroxy-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]-N-[(4S)-2-(2-amino-2-oxoethyl)-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]propanamide
  Canonical SMILES: C[C@H](C(=O)N[C@H]1CC2=CC=CC=C2CN(C1=O)CC(=O)N)N3CC4=C(C[C@@H](C3=O)N)C=CC(=C4)O
  InChI: InChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20+,21+/m1/s1
  InChIKey: ACFTTXWQZSBVGL-OREJSRFESA-N
• Cross-matching ID:
  PubChem CID: 11641503
  TTD ID: D08LIT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor delta (OPRD1)	TT27RFC	OPRD_HUMAN	Inhibitor	[1]
Opioid receptor mu (MOP)	TTKWM86	OPRM_HUMAN	Inhibitor	[1]

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

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.