Details of the Drug

General Information of Drug (ID: DMSCR2H)

Drug Name
Cerdulatinib
Synonyms PRT-062070; Syk + JAK multikinase inhibitor (NHL/CLL/RA), Portola Pharmaceuticals
Indication
Disease Entry ICD 11 Status REF
B-cell lymphoma 2A86 Phase 2 [1]
Non-hodgkin lymphoma 2B33.5 Phase 1/2 [2]
Atopic dermatitis EA80 Phase 1 [3]
Vitiligo ED63.0 Phase 1 [3]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 445.5
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C20H27N7O3S
IUPAC Name
4-(cyclopropylamino)-2-[4-(4-ethylsulfonylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
Canonical SMILES
CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N
InChI
InChI=1S/C20H27N7O3S/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25)
InChIKey
BGLPECHZZQDNCD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44595079
ChEBI ID
CHEMBL4116008
CAS Number
1198300-79-6
UNII
D1LXQ45S1O
DrugBank ID
DB15499
TTD ID
D0BI3N
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Janus kinase 1 (JAK-1) TT6DM01 JAK1_HUMAN Inhibitor [3]
Janus kinase 2 (JAK-2) TTRMX3V JAK2_HUMAN Modulator [4]
Janus kinase 3 (JAK-3) TTT7PJU JAK3_HUMAN Inhibitor [3]
Tyrosine-protein kinase SYK (SYK) TTOU65C KSYK_HUMAN Modulator [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Clinical pipeline report, company report or official report of Portola.
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Company report (Portola Pharmaceuticals)