Details of the Drug

General Information of Drug (ID: DMDQJEZ)

• Drug Name: PF-06952229
• Synonyms: SCHEMBL16879380; BDBM280355; US10030004, Compound 22; NSC826119; NSC-826119; HY-136244; CS-0120989; PF06952229; ClC=1C=CC(=C(C1)C1=NC=C(C(=C1)NC1=CC=NC=C1C(=O)NC(CO)CO)C(C)C)F; 1801333-55-0; Synthesis of 4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]-N-[2-hydroxy-1-(hydroxymethyl)ethyl]pyridine-3-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 458.9
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C23H24ClFN4O3
  IUPAC Name: 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyridin-4-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
  Canonical SMILES: CC(C)C1=CN=C(C=C1NC2=C(C=NC=C2)C(=O)NC(CO)CO)C3=C(C=CC(=C3)Cl)F
  InChI: InChI=1S/C23H24ClFN4O3/c1-13(2)17-10-27-21(16-7-14(24)3-4-19(16)25)8-22(17)29-20-5-6-26-9-18(20)23(32)28-15(11-30)12-31/h3-10,13,15,30-31H,11-12H2,1-2H3,(H,28,32)(H,26,27,29)
  InChIKey: IPBLCOKXDQHSQW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118211239
  TTD ID: DQ5Y6Z

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
TGF-beta receptor type I (TGFBR1)	TTP4520	TGFR1_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Solid tumour/cancer
• ICD Disease Classification: 2A00-2F9Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
TGF-beta receptor type I (TGFBR1)	DTT	TGFBR1	2.62E-01	0.27	1.01

References

• [1] ClinicalTrials.gov (NCT03685591) PF-06952229 Treatment in Adult Patients With Advanced Solid Tumors. U.S. National Institutes of Health.
• [2] Targeting the TGF pathway for cancer therapy. Pharmacol Ther. 2015 Mar;147:22-31.