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
CAS Number
1198300-79-6
UNII
D1LXQ45S1O
DrugBank ID
DB15499
TTD ID
D0BI3N
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
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)