EcoDrugPlus


Synonyms	Perphenazine 4-aminobutyrate
Status
Molecule Category	Free-form
UNII	K1WO7H97QZ


InChI Key	BABFYCSPNDKXRI-UHFFFAOYSA-N
Smiles	NCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChI	InChI=1S/C25H33ClN4O2S/c26-20-8-9-24-22(19-20)30(21-5-1-2-6-23(21)33-24)12-4-11-28-13-15-29(16-14-28)17-18-32-25(31)7-3-10-27/h1-2,5-6,8-9,19H,3-4,7,10-18,27H2

Property Name	Value
Molecular Formula	C25H33ClN4O2S
Molecular Weight	489.09
AlogP	4.23
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	10.0
Polar Surface Area	62.04
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	33.0

Resources	Reference
ChEMBL	CHEMBL1187646
FDA SRS	K1WO7H97QZ
PubChem	11203271
SureChEMBL	SCHEMBL8250036
ZINC	ZINC000034582030

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

PERPHENAZINE 4-AMINOBUTYRATE

Structure

Physicochemical Descriptors

Related Entries

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