General Information of Drug (ID: DMBQ6XY)

Drug Name
TP-3654
Synonyms
1361951-15-6; TP3654; UNII-EOB0N7BOY4; EOB0N7BOY4; SGI-9481; 2-((1r,4r)-4-((3-(3-(trifluoromethyl)phenyl)imidazo[1,2-b]pyridazin-6-yl)amino)cyclohexyl)propan-2-ol; SCHEMBL102560; CHEMBL3975308; SCHEMBL19986953; SCHEMBL20794171; SCHEMBL22421478; BDBM242374; BCP30070; EX-A1828; NSC805149; AKOS032960444; CS-6293; NSC-805149; SB17245; TP3654; TP 3654; BS-15262; HY-101126; AK00792306; S6774; US9416132, 8-31; 2-(4-((3-(3-(Trifluoromethyl)phenyl)imidazo(1,2-b)pyridazin-6-yl)amino)cyclohexyl)propan-2-ol; 4-((3-(3-(Trifluoromethyl)phenyl)imidazo(1,2-b)pyridazin-6-yl)amino) -trans-cyclohexyl)propan-2-ol
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) 418.5
Logarithm of the Partition Coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C22H25F3N4O
IUPAC Name
2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
Canonical SMILES
CC(C)(C1CCC(CC1)NC2=NN3C(=NC=C3C4=CC(=CC=C4)C(F)(F)F)C=C2)O
InChI
InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-20-26-13-18(29(20)28-19)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)
InChIKey
XRNVABDYQLHODA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
66598080
CAS Number
1361951-15-6
TTD ID
D7Z1CR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Serine/threonine-protein kinase pim (PIM) TTA7WGU NOUNIPROTAC Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03715504) Study of TP-3654 in Patients With Advanced Solid Tumors. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of Sumitomo Dainippon Pharma.