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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL5095192
TTD ID
DQ5Y6Z
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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]
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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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.