Details of the Drug

General Information of Drug (ID: DM326VN)

• Drug Name: COLCHINOL
• Synonyms: Colchinol; (S)-5-Amino-6,7-dihydro-9,10,11-trimethoxy-5H-dibenzo(a,c)cyclohepten-3-ol; 477-31-6; CHEMBL198808; AC1Q7B91; AC1L4V44; CTK4J0211; 5H-Dibenzo(a,c)cyclohepten-3-ol, 5-amino-6,7-dihydro-9,10,11-trimethoxy-, (S)-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 315.4
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C18H21NO4
  IUPAC Name: (8S)-8-amino-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-ol
  Canonical SMILES: COC1=C(C(=C2C(=C1)CC[C@@H](C3=C2C=CC(=C3)O)N)OC)OC
  InChI: InChI=1S/C18H21NO4/c1-21-15-8-10-4-7-14(19)13-9-11(20)5-6-12(13)16(10)18(23-3)17(15)22-2/h5-6,8-9,14,20H,4,7,19H2,1-3H3/t14-/m0/s1
  InChIKey: HSDSUBIABLFGDX-AWEZNQCLSA-N
• Cross-matching ID:
  PubChem CID: 164612
  ChEBI ID: CHEMBL198808
  CAS Number: 477-31-6
  TTD ID: D0VI1H
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tubulin (TUB)	TTML2WA	NOUNIPROTAC	Inhibitor	[1]
Tubulin beta (TUBB)	TTYFKSZ	NOUNIPROTAC	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Tubulin (TUB)	DTT	NO-GeName	7.94E-02	0.35	0.43

References

• [1] Synthesis and structure-activity relationships of 1,2,4-triazoles as a novel class of potent tubulin polymerization inhibitors. Bioorg Med Chem Lett. 2005 Dec 1;15(23):5154-9.