BI-187004

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Search structure


Synonyms	Bi 187004 Bi-187004
Status
Molecule Category	Free-form
UNII	280XKM6Z2K

Structure


InChI Key	VVZNCSHIBODHMZ-UZLBHIALSA-N
Smiles	N#Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2
InChI	InChI=1S/C21H18N4O/c22-11-13-3-4-14-10-20-16(17(14)8-13)2-1-7-25(20)21(26)15-5-6-18-19(9-15)24-12-23-18/h3-6,8-9,12,16,20H,1-2,7,10H2,(H,23,24)/t16-,20+/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H18N4O
Molecular Weight	342.4
AlogP	3.38
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	72.78
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	26.0

Pharmacology

Mechanism of Action	Action	Reference
11-beta-hydroxysteroid dehydrogenase 1 inhibitor	INHIBITOR	PubMed

Target Conservation


Protein: 11-beta-hydroxysteroid dehydrogenase 1 Description: 11-beta-hydroxysteroid dehydrogenase 1 Organism : Homo sapiens P28845 ENSG00000117594

Cross References

Resources	Reference
ChEMBL	CHEMBL3669417
FDA SRS	280XKM6Z2K
SureChEMBL	SCHEMBL1950073
ZINC	ZINC000117624308

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