Details of the Drug

General Information of Drug (ID: DMHIQDC)

Drug Name
CUDC-907
Synonyms
CUDC-907; 1339928-25-4; Fimepinostat; CUDC 907; UNII-3S9RX35S5X; CUDC907; 3S9RX35S5X; CHEMBL3622533; N-hydroxy-2-[[2-(6-methoxypyridin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxamide; Fimepinostat [USAN]; PI3K/HDAC Inhibitor centn; MLS006010994; SCHEMBL1284705; GTPL8952; KS-00000TDO; EX-A742; AOB6775; DTXSID90712307; MolPort-023-293-550; JOWXJLIFIIOYMS-UHFFFAOYSA-N; HMS3656H04; BCP06870; s2759; BDBM50188961; 2341AH; ZINC73488511; ABP001045; AKOS026750340; SB16569; CUDC-907 (PI3K/HDAC Inhibi
Indication
Disease Entry ICD 11 Status REF
Acute myelogenous leukaemia 2A41 Phase 1/2 [1]
Diffuse large B-cell lymphoma 2A81 Phase 1 [2]
Neuroblastoma 2D11.2 Phase 1 [3]
Solid tumour/cancer 2A00-2F9Z Phase 1 [3]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 508.6
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 12
Chemical Identifiers
Formula
C23H24N8O4S
IUPAC Name
N-hydroxy-2-[[2-(6-methoxypyridin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxamide
Canonical SMILES
CN(CC1=CC2=C(S1)C(=NC(=N2)C3=CN=C(C=C3)OC)N4CCOCC4)C5=NC=C(C=N5)C(=O)NO
InChI
InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)
InChIKey
JOWXJLIFIIOYMS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
54575456
CAS Number
1339928-25-4
DrugBank ID
DB11891
TTD ID
D0E6UZ
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
Histone deacetylase (HDAC) TTBH0VX NOUNIPROTAC Inhibitor [3]
PI3-kinase gamma (PIK3CG) TTHBTOP PK3CG_HUMAN Modulator [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Acute myelogenous leukaemia
ICD Disease Classification 2A41
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
PI3-kinase gamma (PIK3CG) DTT PIK3CG 1.98E-01 -0.05 -0.55
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT04278768) Dose Escalation/ Expansion Trial of CA-4948 as Monotherapy and in Combination With Azacitidine or Venetoclax in Patients With AML or MDS. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of Curis.
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Cancer network disruption by a single molecule inhibitor targeting both histone deacetylase activity and phosphatidylinositol 3-kinase signaling.Clin Cancer Res.2012 Aug 1;18(15):4104-13.