Details of the Drug

General Information of Drug (ID: DMY3FES)

Drug Name

SW-33377

Synonyms

SR-233377; Win-33377; N-[1-[2-(Diethylamino)ethylamino]-9-oxothioxanthen-4-ylmethyl]methanesulfonamide; 1-[2-(Diethylamino)ethylamino]-4-(methanesulfonamidomethyl)thioxanthen-9-one

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

433.6

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C21H27N3O3S2
IUPAC Name: N-[[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl]methanesulfonamide
Canonical SMILES: CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C)SC3=CC=CC=C3C2=O
InChI: InChI=1S/C21H27N3O3S2/c1-4-24(5-2)13-12-22-17-11-10-15(14-23-29(3,26)27)21-19(17)20(25)16-8-6-7-9-18(16)28-21/h6-11,22-23H,4-5,12-14H2,1-3H3
InChIKey: NAMOLZVVTPNNTE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3035776
CAS Number: 146537-07-7
TTD ID: D0G6XC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human Deoxyribonucleic acid (hDNA)	TTUTN1I	NOUNIPROTAC	Binder	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction 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 800003155)
2	Effects of SW 33377, SW 68210 and SW 71425 thioxanthones on in vitro colony formation of freshly explanted human tumor cells. Invest New Drugs. 1998-1999;16(3):221-5.