General Information of Drug (ID: DMPMO6G)

Drug Name
CC-401
Synonyms
CC-401; 395104-30-0; UNII-NOE38VQA1W; NOE38VQA1W; 3-(3-(2-(piperidin-1-yl)ethoxy)phenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole; 3-(3-(2-(piperidin-1-yl)ethoxy)phenyl)-5-(1H-1,2,4-triazol-3-yl)-1H-indazole; 3-[3-[2-(1-PIPERIDINYL)ETHOXY]PHENYL]-5-(1H-1,2,4-TRIAZOL-5-YL)-1H-INDAZOLE; CC 401; C22H24N6O; PubChem22434; SCHEMBL4604749; CHEMBL1614713; CHEBI:91437; DTXSID40192650; MolPort-044-561-531; MolPort-021-804-942; BCPP000298; BCP01960; ZINC38836256; RS0046; HY-13022A; AKOS027251057; AKOS027336636; DB12432; BCP9000495; CS-1955
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 2 [1]
Therapeutic Class
Anticancer Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 388.5
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C22H24N6O
IUPAC Name
3-[3-(2-piperidin-1-ylethoxy)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
Canonical SMILES
C1CCN(CC1)CCOC2=CC=CC(=C2)C3=NNC4=C3C=C(C=C4)C5=NC=NN5
InChI
InChI=1S/C22H24N6O/c1-2-9-28(10-3-1)11-12-29-18-6-4-5-16(13-18)21-19-14-17(22-23-15-24-27-22)7-8-20(19)25-26-21/h4-8,13-15H,1-3,9-12H2,(H,25,26)(H,23,24,27)
InChIKey
XDJCLCLBSGGNKS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10430360
ChEBI ID
CHEBI:91437
CAS Number
395104-30-0
DrugBank ID
DB12432
TTD ID
D04UUD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Jun N terminal kinase (JNK) TTR2TXZ MK08_HUMAN ; MK09_HUMAN ; MK10_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 SP600125 inhibits Orthopoxviruses replication in a JNK1/2 -independent manner: Implication as a potential antipoxviral. Antiviral Res. 2012 Jan;93(1):69-77.
2 Signal integration by JNK and p38 MAPK pathways in cancer development.Nat Rev Cancer.2009 Aug;9(8):537-49.