Details of the Drug

General Information of Drug (ID: DM0EDHJ)

• Drug Name: CC-90011
• Synonyms: UNII-W6F4FRQ5QC; W6F4FRQ5QC; CC90011; 1821307-10-1; CC-90011 besylate; 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile; Pulrodemstat; 4-(2-(4-Aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)-2-fluorobenzonitrile; Pulrodemstat [INN]; CC-90011 Free base; SCHEMBL17222702; GTPL11284; US10023543, Example 7; BDBM283216; US10023543, Example 85; US10023543, Example 86; NSC822744; NSC-822744; compound 11 [PMID: 33034194]; Q67009340; NC1CCN(CC1)C=1N(C(C(=C(N1)C1=CC(=C(C#N)C=C1)F)C1=CC(=C(C=C1)OC)F)=O)C; 4-(2-(4-Amino-piperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)-2-fluorobenzonitrile; 4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-methoxy-phenyl)-1- methyl-6-oxo-1,6-dihydro- pyrimidin-4-yl]-2-fluoro- benzonitrile; Benzonitrile, 4-(2-(4-amino-1-piperidinyl)-5-(3-fluoro-4-methoxyphenyl)-1,6-dihydro-1-methyl-6-oxo-4-pyrimidinyl)-2-fluoro-; V0Y

Indication

Disease Entry	ICD 11	Status	REF
Lymphoma	2A80-2A86	Phase 2	[1]
Non-hodgkin lymphoma	2B33.5	Phase 2	[1]
Solid tumour/cancer	2A00-2F9Z	Phase 1	[2]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 451.5
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C24H23F2N5O2
  IUPAC Name: 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxopyrimidin-4-yl]-2-fluorobenzonitrile
  Canonical SMILES: CN1C(=O)C(=C(N=C1N2CCC(CC2)N)C3=CC(=C(C=C3)C#N)F)C4=CC(=C(C=C4)OC)F
  InChI: InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
  InChIKey: NBAIXBAUHIQQGF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118483201
  CAS Number: 1821307-10-1
  TTD ID: DB5UA2
• 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
Lysine-specific histone demethylase 1 (LSD)	TTNR0UQ	KDM1A_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Lymphoma
• ICD Disease Classification: 2A80-2A86

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Lysine-specific histone demethylase 1 (LSD)	DTT	KDM1A	1.51E-76	0.51	1.91

References

• [1] ClinicalTrials.gov (NCT02875223) A Safety and Efficacy Study of CC-90011 in Subjects With Relapsed and/or Refractory Solid Tumors and Non-Hodgkin's Lymphomas. U.S. National Institutes of Health.
• [2] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)