NEVANIMIBE HYDROCHLORIDE

/static/temp/default.svg

Search structure


Synonyms	ATR-101 ATR-101 HYDROCHLORIDE Atr-101 Nevanimibe hydrochloride PD 132301-02 PD-132301 HYDROCHLORIDE PD-132301-02 PD-132301-2 PD132301-02 PD132301-2
Status
Molecule Category	Salt-form
UNII	TK694ZFS57
EPA CompTox	DTXSID10158389

Structure


InChI Key	SDOOGTHIDFZUNM-UHFFFAOYSA-N
Smiles	CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(N(C)C)cc2)CCCC1.Cl
InChI	InChI=1S/C27H39N3O.ClH/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6;/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31);1H

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C27H40ClN3O
Molecular Weight	458.09
AlogP	6.63
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	44.37
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	31.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme	-	52	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Oryctolagus cuniculus	-	52	-	-	-

Cross References

Resources	Reference
ChEMBL	CHEMBL542103
FDA SRS	TK694ZFS57
PubChem	131678
SureChEMBL	SCHEMBL5973583

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...

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

Last update: Monday, 3 November 2025