Details of the Drug

General Information of Drug (ID: DM6WQ8F)

Drug Name
BE-13793C
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 357.3
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H11N3O4
IUPAC Name
5,21-dihydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
Canonical SMILES
C1=CC2=C(C(=C1)O)NC3=C4C(=C5C(=C23)C(=O)NC5=O)C6=C(N4)C(=CC=C6)O
InChI
InChI=1S/C20H11N3O4/c24-9-5-1-3-7-11-13-14(20(27)23-19(13)26)12-8-4-2-6-10(25)16(8)22-18(12)17(11)21-15(7)9/h1-6,21-22,24-25H,(H,23,26,27)
InChIKey
FETFZHLVPOJEBR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9928668
CAS Number
133805-03-5
TTD ID
D0B3CT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
DNA topoisomerase I (TOP1) TTGTQHC TOP1_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Solid tumour/cancer
ICD Disease Classification 2A00-2F9Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
DNA topoisomerase I (TOP1) DTT TOP1 6.65E-01 0.2 0.39
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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 800005130)
2 DOI: 10.1002/3527601783.ch20