General Information of Drug (ID: DMEZLFT)

Drug Name
Camsirubicin
Synonyms
UNII-VI79RD8VNN; VI79RD8VNN; 236095-26-4; (8R,10S)-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyethyl)-12-imino-1-methoxy-7,9,10,12-tetrahydrotetracen-5(8H)-one; 5(8H)-Naphthacenone, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyethyl)-12-imino-1-methoxy-, (8R,10S)-
Indication
Disease Entry ICD 11 Status REF
Soft tissue sarcoma 2B57 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 528.5
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 7
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C27H32N2O9
IUPAC Name
(8R,10S)-10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-8-(2-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one
Canonical SMILES
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=N)C(=CC=C5)OC)O)(CCO)O)N)O
InChI
InChI=1S/C27H32N2O9/c1-11-23(31)14(28)8-17(37-11)38-16-10-27(35,6-7-30)9-13-19(16)26(34)20-21(25(13)33)24(32)12-4-3-5-15(36-2)18(12)22(20)29/h3-5,11,14,16-17,23,29-31,33-35H,6-10,28H2,1-2H3/t11-,14-,16-,17-,23+,27-/m0/s1
InChIKey
GNCWGPLZJLZZPI-KUIJCEFOSA-N
Cross-matching ID
PubChem CID
135446069
CAS Number
236095-26-4
TTD ID
DE53JQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
DNA topoisomerase II alpha (TOP2A) TTCGY2K TOP2A_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of Monopar Therapeutics.
2 Clinical pipeline report, company report or official report of Monopar Therapeutics.