Details of the Drug

General Information of Drug (ID: DMNSJ3C)

Drug Name
JNJ-26854165
Synonyms
Serdemetan; 881202-45-5; N1-(2-(1H-Indol-3-yl)ethyl)-N4-(pyridin-4-yl)benzene-1,4-diamine; JNJ-26854165 (Serdemetan); UNII-ID6YB4W3V8; ID6YB4W3V8; C21H20N4; n-(2-(1h-indol-3-yl)ethyl)-n'-(4-pyridinyl)-1,4-benzenediamine; N-[2-(1H-INDOL-3-YL)ETHYL]-N'-(4-PYRIDINYL)-1,4-BENZENEDIAMINE; Serdemetan [INN]; MLS006011022; SCHEMBL3012498; CHEMBL2137530; CTK8C1936; EX-A267; DTXSID30236830; MolPort-009-679-468; HMS3654A16; JNJ 26854165 (Serdemetan); BCP02124; AOB87702; QC-534; ANW-67474
Indication
Disease Entry ICD 11 Status REF
Non-small-cell lung cancer 2C25.Y Phase 1 [1]
Prostate cancer 2C82.0 Phase 1 [1]
Solid tumour/cancer 2A00-2F9Z Phase 1 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 328.4
Logarithm of the Partition Coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C21H20N4
IUPAC Name
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine
Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4
InChI
InChI=1S/C21H20N4/c1-2-4-21-20(3-1)16(15-24-21)9-14-23-17-5-7-18(8-6-17)25-19-10-12-22-13-11-19/h1-8,10-13,15,23-24H,9,14H2,(H,22,25)
InChIKey
CEGSUKYESLWKJP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11609586
CAS Number
881202-45-5
UNII
ID6YB4W3V8
DrugBank ID
DB12027
TTD ID
D0B3GF
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Ubiquitin-protein ligase E3 Mdm2 (MDM2) TT08GJW MDM2_HUMAN Modulator [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Non-small-cell lung cancer
ICD Disease Classification 2C25.Y
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Ubiquitin-protein ligase E3 Mdm2 (MDM2) DTT MDM2 8.31E-13 0.12 0.44
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00676910) A Research Study of JNJ-26854165 to Determine the Safety and Dose in Patients With Advanced Stage or Refractory Solid Tumors.. U.S. National Institutes of Health.
2 Small molecules, big targets: drug discovery faces the protein-protein interaction challenge.Nat Rev Drug Discov. 2016 Aug;15(8):533-50.
3 Serdemetan antagonizes the Mdm2-HIF1alpha axis leading to decreased levels of glycolytic enzymes. PLoS One. 2013 Sep 6;8(9):e74741.