Details of the Drug

General Information of Drug (ID: DMZFIGQ)

Drug Name
TG02
Synonyms
SB1317; 937270-47-8; TG02; TG-02; TG02 (Double bond Z/E); UNII-40D08182TT; CHEMBL1944698; 40D08182TT; SB-1317; 1204918-72-8; C23H24N4O; Tube011; SB-1317 free base; TG02 (Double bond E); TG02 [WHO-DD]; SCHEMBL823947; SCHEMBL2298965; GTPL9095; SCHEMBL17595943; EX-A239; MolPort-039-139-793; AOB87361; BCP07033; ZINC68251500; BDBM50363196; 4029AH; AKOS030527020; AKOS032950000; SB1317(TG-02); SB14606; CS-0884; compound 26h [PMID: 22148278]; KB-80503; HY-15166; W-5884
Indication
Disease Entry ICD 11 Status REF
Anaplastic astrocytoma 2A00.0 Phase 1/2 [1], [2]
Recurrent glioblastoma 2A00.00 Phase 1/2 [1], [2]
Solid tumour/cancer 2A00-2F9Z Phase 1 [3]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 372.5
Topological Polar Surface Area (xlogp) 4.2
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C23H24N4O
IUPAC Name
(16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
Canonical SMILES
CN1C/C=C/CCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1
InChI
InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+
InChIKey
VXBAJLGYBMTJCY-NSCUHMNNSA-N
Cross-matching ID
PubChem CID
16739650
CAS Number
1204918-72-8
TTD ID
D0P0KN
INTEDE ID
DR1818

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cyclin-dependent kinase (CDK) TTMBO1Z NOUNIPROTAC Inhibitor [1]
Cyclin-dependent kinase 2 (CDK2) TT7HF4W CDK2_HUMAN Modulator [3]
Protein kinase (PK) TTU8W4S NOUNIPROTAC Inhibitor [2]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [4]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Substrate [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Anaplastic astrocytoma
ICD Disease Classification 2A00.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cyclin-dependent kinase 2 (CDK2) DTT CDK2 2.28E-06 0.12 0.19
Cytochrome P450 1A2 (CYP1A2) DME CYP1A2 5.52E-19 -2.25E-01 -5.53E-01
Cytochrome P450 3A4 (CYP3A4) DME CYP3A4 5.59E-39 -3.76E-01 -1.64E+00
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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 the Pharmaceutical Research and Manufacturers of America (PhRMA)
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