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
Structure
3D MOL 2D MOL
#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
CAS Number
869769-98-2
DrugBank ID
DB12960
TTD ID
D0Y7NA
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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.