EcoDrugPlus


Synonyms	BAY-13-9952 Implitapide
Status
Molecule Category	Free-form
UNII	Q70OH404HR

Synonyms

BAY-13-9952

Implitapide

Status

Molecule Category

Free-form

UNII

Q70OH404HR


InChI Key	AMNXBQPRODZJQR-DITALETJSA-N
Smiles	Cc1cc(C)c2c3ccccc3n(Cc3cccc([C@@H](C(=O)N[C@@H](CO)c4ccccc4)C4CCCC4)c3)c2n1
InChI	InChI=1S/C35H37N3O2/c1-23-19-24(2)36-34-32(23)29-17-8-9-18-31(29)38(34)21-25-11-10-16-28(20-25)33(27-14-6-7-15-27)35(40)37-30(22-39)26-12-4-3-5-13-26/h3-5,8-13,16-20,27,30,33,39H,6-7,14-15,21-22H2,1-2H3,(H,37,40)/t30-,33-/m0/s1

InChI Key

AMNXBQPRODZJQR-DITALETJSA-N

Smiles

Cc1cc(C)c2c3ccccc3n(Cc3cccc([C@@H](C(=O)N[C@@H](CO)c4ccccc4)C4CCCC4)c3)c2n1

InChI

InChI=1S/C35H37N3O2/c1-23-19-24(2)36-34-32(23)29-17-8-9-18-31(29)38(34)21-25-11-10-16-28(20-25)33(27-14-6-7-15-27)35(40)37-30(22-39)26-12-4-3-5-13-26/h3-5,8-13,16-20,27,30,33,39H,6-7,14-15,21-22H2,1-2H3,(H,37,40)/t30-,33-/m0/s1

Property Name	Value
Molecular Formula	C35H37N3O2
Molecular Weight	531.7
AlogP	6.98
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	67.15
Molecular species	NEUTRAL
Aromatic Rings	5.0
Heavy Atoms	40.0

Property Name

Value

Molecular Formula

C35H37N3O2

Molecular Weight

531.7

AlogP

6.98

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

67.15

Molecular species

NEUTRAL

Aromatic Rings

5.0

Heavy Atoms

40.0

Mechanism of Action	Action	Reference
Microsomal triglyceride transfer protein inhibitor	INHIBITOR	PubMed PubMed

Mechanism of Action

Action

Reference

Microsomal triglyceride transfer protein inhibitor

INHIBITOR

PubMed PubMed

Resources	Reference
ChEMBL	CHEMBL2105804
DrugBank	DB04852
FDA SRS	Q70OH404HR
PubChem	5745206
SureChEMBL	SCHEMBL1650033
ZINC	ZINC000059676426

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC

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

IMPLITAPIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References