Details of the Drug

General Information of Drug (ID: DMXH6DL)

Drug Name

XN-0502

Synonyms

MZ-3; Combretastatin-A4 analogs (cancer); Combretastatin-A4 analogs (cancer), Zhejiang University

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

355.4

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C19H21N3O4
IUPAC Name: 4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine
Canonical SMILES: COC1=CC=C(C=C1)C2=C(NN=C2N)C3=CC(=C(C(=C3)OC)OC)OC
InChI: InChI=1S/C19H21N3O4/c1-23-13-7-5-11(6-8-13)16-17(21-22-19(16)20)12-9-14(24-2)18(26-4)15(10-12)25-3/h5-10H,1-4H3,(H3,20,21,22)
InChIKey: SITNEARYBVAYKV-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2640).