Details of the Drug

General Information of Drug (ID: DMSMRC1)

Drug Name

1069C

Synonyms

CHEMBL418565; 1069C85; 1069C; AC1OCF0R; SCHEMBL8965590; UMSHZWFCVXIDEO-UHFFFAOYSA-N; BDBM50280140; Methyl N-[6-(3,4,5-trimethoxybenzyloxy)imidazo[1,2-b]pyridazine-2-yl]carbamate; Methyl N-[6-(3,4,5-trimethoxybenzyloxy)imidazo[1,2-b]pyridazin-2yl]carbamate; [6-(3,4,5-Trimethoxy-benzyloxy)-imidazo[1,2-b]pyridazin-2-yl]-carbamic acid methyl ester; methyl N-[6-[(3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

388.4

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C18H20N4O6
IUPAC Name: methyl N-[6-[(3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)COC2=NN3C=C(N=C3C=C2)NC(=O)OC
InChI: InChI=1S/C18H20N4O6/c1-24-12-7-11(8-13(25-2)17(12)26-3)10-28-16-6-5-15-19-14(9-22(15)21-16)20-18(23)27-4/h5-9H,10H2,1-4H3,(H,20,23)
InChIKey: UMSHZWFCVXIDEO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 6918099
TTD ID: D03RMN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tubulin beta (TUBB)	TTYFKSZ	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Phase I trial and pharmacokinetics of the tubulin inhibitor 1069C85--a synthetic agent binding at the colchicine site designed to overcome multidrug resistance. Br J Cancer. 1997;75(4):608-13.
2	Patent WO2005108424 A1.