PF-00446687

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Search structure


Synonyms	(-)-PF-00446687 Pf-00446687
Status
Molecule Category	Free-form
UNII	63P236Z73I

Structure


InChI Key	WHPJOAUPIZDJNX-AGGGUQDCSA-N
Smiles	C[C@@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1ccccc1
InChI	InChI=1S/C28H36F2N2O2/c1-18-14-31(15-19(2)28(18,34)20-9-7-6-8-10-20)26(33)24-17-32(27(3,4)5)16-23(24)22-12-11-21(29)13-25(22)30/h6-13,18-19,23-24,34H,14-17H2,1-5H3/t18-,19+,23-,24+,28-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C28H36F2N2O2
Molecular Weight	470.6
AlogP	4.78
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	43.78
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	34.0

Pharmacology

Mechanism of Action	Action	Reference
Melanocortin receptor 4 agonist	AGONIST	Wikipedia PubMed

Target Conservation


Protein: Melanocortin receptor 4 Description: Melanocortin receptor 4 Organism : Homo sapiens P32245 ENSG00000166603

Cross References

Resources	Reference
ChEMBL	CHEMBL1090488
DrugBank	DB12517
FDA SRS	63P236Z73I
SureChEMBL	SCHEMBL13525566
ZINC	ZINC000101338048

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