BIZELESIN

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Search structure


Synonyms	Bizelesin NSC-615291 U 77779 U-77779
Status
Molecule Category	Free-form
UNII	L0O9OBI87E
EPA CompTox	DTXSID00156213

Structure


InChI Key	FONKWHRXTPJODV-DNQXCXABSA-N
Smiles	Cc1c[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5[nH]cc(C)c65)cc4c3)ccc2[nH]1
InChI	InChI=1S/C43H36Cl2N8O5/c1-19-15-46-39-33(54)11-31-37(35(19)39)23(13-44)17-52(31)41(56)29-9-21-7-25(3-5-27(21)50-29)48-43(58)49-26-4-6-28-22(8-26)10-30(51-28)42(57)53-18-24(14-45)38-32(53)12-34(55)40-36(38)20(2)16-47-40/h3-12,15-16,23-24,46-47,50-51,54-55H,13-14,17-18H2,1-2H3,(H2,48,49,58)/t23-,24-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C43H36Cl2N8O5
Molecular Weight	815.72
AlogP	9.25
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	8.0
Number of Rotational Bond	6.0
Polar Surface Area	185.37
Molecular species	NEUTRAL
Aromatic Rings	8.0
Heavy Atoms	58.0

Pharmacology

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	53-56
Mus musculus	-	-	-	-	90

Cross References

Resources	Reference
CAS NUMBER	129655-21-6
ChEMBL	CHEMBL284642
DrugBank	DB12352
FDA SRS	L0O9OBI87E
PubChem	60794
SureChEMBL	SCHEMBL4433
ZINC	ZINC000085536995

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 27^th July 2026