Details of the Drug

General Information of Drug (ID: DMOMDA4)

Drug Name
B-701
Synonyms
VKRFJPYJBOIVPD-UHFFFAOYSA-N; B 701; NSC 46406; 78218-88-9; Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, (3-chloropropyl) ester; AC1L3VIX; AC1Q6T2K; NSC46406; NSC-46406; 3-chloropropyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate; LS-107974; 3-[[bis(2-chloroethyl)amino-(3-chloropropoxy)phosphoryl]amin; 3-[[bis(2-chloroethyl)amino-(3-chloropropoxy)phosphoryl]amino]propan-1-ol; Phosphorodiamidic acid,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, 3-chloropropyl ester
Indication
Disease Entry ICD 11 Status REF
Bladder cancer 2C94 Phase 2 [1], [2]
Urothelial carcinoma 2C92.0 Phase 1 [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 355.6
Topological Polar Surface Area (xlogp) 1.2
Rotatable Bond Count (rotbonds) 13
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C10H22Cl3N2O3P
IUPAC Name
3-[[bis(2-chloroethyl)amino-(3-chloropropoxy)phosphoryl]amino]propan-1-ol
Canonical SMILES
C(CNP(=O)(N(CCCl)CCCl)OCCCCl)CO
InChI
InChI=1S/C10H22Cl3N2O3P/c11-3-1-10-18-19(17,14-6-2-9-16)15(7-4-12)8-5-13/h16H,1-10H2,(H,14,17)
InChIKey
VKRFJPYJBOIVPD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
95987
CAS Number
78218-88-9
TTD ID
D0G6CF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fibroblast growth factor receptor 3 (FGFR3) TTST7KB FGFR3_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Bladder cancer
ICD Disease Classification 2C94
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Fibroblast growth factor receptor 3 (FGFR3) DTT FGFR3 5.83E-03 0.08 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
4 Emerging therapies for multiple myeloma. Expert Opin Emerg Drugs. 2009 Mar;14(1):99-127.
5 E-3810 is a potent dual inhibitor of VEGFR and FGFR that exerts antitumor activity in multiple preclinical models. Cancer Res. 2011 Feb 15;71(4):1396-405.
6 A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development. Curr Top Med Chem. 2007;7(14):1408-22.
7 In vitro and in vivo characterization of Recifercept, a soluble fibroblast growth factor receptor 3, as treatment for achondroplasia. PLoS One. 2020 Dec 28;15(12):e0244368.
8 MK-2461, a novel multitargeted kinase inhibitor, preferentially inhibits the activated c-Met receptor. Cancer Res. 2010 Feb 15;70(4):1524-33.
9 Clinical pipeline report, company report or official report of Genentech (2011).