Details of the Drug

General Information of Drug (ID: DMF6OY8)

Drug Name

BW-A502U

Synonyms

BW-502U83; 2-[10-(2-Hydroxyethoxy)-9-anthracenylmethylamino]-2-methyl-1,3-propanediol

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Terminated	[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)

2

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C21H25NO4
IUPAC Name: 2-[[10-(2-hydroxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol
Canonical SMILES: CC(CO)(CO)NCC1=C2C=CC=CC2=C(C3=CC=CC=C31)OCCO
InChI: InChI=1S/C21H25NO4/c1-21(13-24,14-25)22-12-19-15-6-2-4-8-17(15)20(26-11-10-23)18-9-5-3-7-16(18)19/h2-9,22-25H,10-14H2,1H3
InChIKey: JPCHHZXQVHSGGC-UHFFFAOYSA-N

Cross-matching ID

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)

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 800004913)
2	Pharmacokinetics and disposition in the rat of a DNA intercalator 502U83. Drug Metab Dispos. 1993 Jan-Feb;21(1):62-70.