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
DrugBank ID
DB12027
TTD ID
D0B3GF
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug
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
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.