Details of the Drug

General Information of Drug (ID: DMW9MOK)

Drug Name
Lomeguatrib
Synonyms Patrin; AZD-5896; Patrin-2; O6-(4-bromothenylguanine), Cancer Research UK/KuDOS; 4-BTG (cancer), Paterson/Trinity/CRC/KuDOS/AstraZeneca
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 326.17
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C10H8BrN5OS
IUPAC Name
6-[(4-bromothiophen-2-yl)methoxy]-7H-purin-2-amine
Canonical SMILES
C1=C(SC=C1Br)COC2=NC(=NC3=C2NC=N3)N
InChI
InChI=1S/C10H8BrN5OS/c11-5-1-6(18-3-5)2-17-9-7-8(14-4-13-7)15-10(12)16-9/h1,3-4H,2H2,(H3,12,13,14,15,16)
InChIKey
JUJPKFNFCWJBCX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3025944
CAS Number
192441-08-0
TTD ID
D0B2WQ
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Transferase unspecific (TF) TTX2N1T NOUNIPROTAC Inhibitor [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Methylated-DNA--protein-cysteine methyltransferase (MGMT) OT40A9WH MGMT_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800017888)
2 O6-methylguanine DNA methyltransferase as a promising target for the treatment of temozolomide-resistant gliomas. Cell Death Dis. 2013 Oct 24;4:e876.
3 O6-(4-bromothenyl)guanine reverses temozolomide resistance in human breast tumour MCF-7 cells and xenografts. Br J Cancer. 2005 Nov 14;93(10):1152-6. doi: 10.1038/sj.bjc.6602833.