Details of the Drug

General Information of Drug (ID: DMMWC6F)

• Drug Name: INCB9471
• Synonyms: INCB-9471; UNII-C5D4W25708; INCB9471; CHEMBL1688243; INCB009471; C5D4W25708; INCB-009471; INCB 9471; INCB0 09471; 869769-98-2; SCHEMBL3676335; ZINC43171152; BDBM50339033; DB12960; 925701-76-4; Piperidine, 1-((4,6-dimethyl-5-pyrimidinyl)carbonyl)-4-((3S)-4-((1R,2R)-2-ethoxy-2,3-dihydro-5-(trifluoromethyl)-1H-inden-1-yl)-3-methyl-1-piperazinyl)-4-methyl-; 5-((4-(4-(2-Ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl)-4-methylpiperidin-1-yl)carbonyl)-4,6-dimethylpyrimidine

Indication

Disease Entry	ICD 11	Status	REF
Infectious disease	1A00-CA43.1	Phase 2a	[1]
Human immunodeficiency virus infection	1C62	Phase 2	[2]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 559.7
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C30H40F3N5O2
  IUPAC Name: (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R,2R)-2-ethoxy-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone
  Canonical SMILES: CCO[C@@H]1CC2=C([C@H]1N3CCN(C[C@@H]3C)C4(CCN(CC4)C(=O)C5=C(N=CN=C5C)C)C)C=CC(=C2)C(F)(F)F
  InChI: InChI=1S/C30H40F3N5O2/c1-6-40-25-16-22-15-23(30(31,32)33)7-8-24(22)27(25)38-14-13-37(17-19(38)2)29(5)9-11-36(12-10-29)28(39)26-20(3)34-18-35-21(26)4/h7-8,15,18-19,25,27H,6,9-14,16-17H2,1-5H3/t19-,25+,27+/m0/s1
  InChIKey: ZMCJFJZOSKEMOM-DNKZPPIMSA-N
• Cross-matching ID:
  PubChem CID: 49871007
  ChEBI ID: CHEMBL1688243
  CAS Number: 869769-98-2
  UNII: C5D4W25708
  DrugBank ID: DB12960
  TTD ID: D0Y7NA
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• 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-C chemokine receptor type 5 (CCR5)	TT2CEJG	CCR5_HUMAN	Antagonist	[3]

Molecular Expression Atlas of This Drug

• The Studied Disease: Infectious disease
• ICD Disease Classification: 1A00-CA43.1

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
C-C chemokine receptor type 5 (CCR5)	DTT	CCR5	9.30E-01	-0.08	-0.11

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800023697)
• [2] Clinical pipeline report, company report or official report of Incyte.
• [3] Species selectivity of small-molecular antagonists for the CCR5 chemokine receptor. Int Immunopharmacol. 2007 Dec 5;7(12):1528-34.