Details of the Drug

General Information of Drug (ID: DM6HPEC)

• Drug Name: USL311
• Synonyms: Usl-311; UNII-2BTG5MX2Q2; 2BTG5MX2Q2; SCHEMBL15347153; USL-311; 2-Pyridinecarboxamide, 6-(hexahydro-4-(1-(1-methylethyl)-4-piperidinyl)-1H-1,4-diazepin-1-yl)-N-4-pyridinyl-; 1373268-67-7

Indication

Disease Entry	ICD 11	Status	REF
Recurring respiratory infection	CA07-CA45	Phase 1/2	[1]
Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 422.6
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C24H34N6O
  IUPAC Name: 6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide
  Canonical SMILES: CC(C)N1CCC(CC1)N2CCCN(CC2)C3=CC=CC(=N3)C(=O)NC4=CC=NC=C4
  InChI: InChI=1S/C24H34N6O/c1-19(2)28-15-9-21(10-16-28)29-13-4-14-30(18-17-29)23-6-3-5-22(27-23)24(31)26-20-7-11-25-12-8-20/h3,5-8,11-12,19,21H,4,9-10,13-18H2,1-2H3,(H,25,26,31)
  InChIKey: XNUNVQKARNSSEO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56961879
  CAS Number: 1373268-67-7
  TTD ID: D08XQV
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
C-X-C chemokine receptor type 4 (CXCR4)	TTBID49	CXCR4_HUMAN	Antagonist	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Recurring respiratory infection
• ICD Disease Classification: CA07-CA45

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
C-X-C chemokine receptor type 4 (CXCR4)	DTT	CXCR4	7.10E-15	-0.4	-0.69

References

• [1] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)