BMS-214662

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Search structure


Synonyms	Bms 214662 Bms-214662
Status
Molecule Category	Free-form
UNII	L2U9GFD244
EPA CompTox	DTXSID20173260

Structure


InChI Key	OLCWFLWEHWLBTO-HSZRJFAPSA-N
Smiles	N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1c[nH]cn1
InChI	InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C25H23N5O2S2
Molecular Weight	489.63
AlogP	4.17
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	93.09
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	34.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Transferase	-	0.7-8.4	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	1.3-8.4	-	-	-
Mus musculus	25-25	-	-	-	-

Cross References

Resources	Reference
ChEBI	167655
ChEMBL	CHEMBL351706
DrugBank	DB12234
FDA SRS	L2U9GFD244
Guide to Pharmacology	8026
PDB	BMV
PubChem	448545
SureChEMBL	SCHEMBL94663
ZINC	ZINC000003925649

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025