Details of the Drug

General Information of Drug (ID: DMI2LFG)

Drug Name

BW-773U82

Synonyms

BW-A773U; 2-(3-Fluoranthenylmethylamino)-2-methyl-1,3-propanediol hydrochloride; 3-[2-Hydroxy-1-(hydroxymethyl)-1-methylethylaminomethyl]fluoranthene hydrochloride; 773U82.HCl

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

355.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

5

Hydrogen Bond Donor Count

4

Hydrogen Bond Acceptor Count

3

Chemical Identifiers

Formula: C21H22ClNO2
IUPAC Name: 2-(fluoranthen-3-ylmethylamino)-2-methylpropane-1,3-diol;hydrochloride
Canonical SMILES: CC(CO)(CO)NCC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C43.Cl
InChI: InChI=1S/C21H21NO2.ClH/c1-21(12-23,13-24)22-11-14-9-10-19-17-6-3-2-5-16(17)18-8-4-7-15(14)20(18)19;/h2-10,22-24H,11-13H2,1H3;1H
InChIKey: XPSPHVAGYMFPFA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3024572
CAS Number: 96404-51-2
TTD ID: D07VPG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase II (TOP2)	TT0IHXV	TOP2A_HUMAN ; TOP2B_HUMAN	Modulator	[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 800002707)
2	Correlation of cytotoxicity and protein-associated DNA strand breaks for 2-(arylmethylamino)-1,3-propanediols. Anticancer Drug Des. 1998 Oct;13(7):825-35.