EcoDrugPlus


Synonyms	Mavacamten
Status
Molecule Category	Free-form
UNII	QX45B99R3J

Synonyms

Mavacamten

Status

Molecule Category

Free-form

UNII

QX45B99R3J


InChI Key	RLCLASQCAPXVLM-NSHDSACASA-N
Smiles	CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
InChI	InChI=1S/C15H19N3O2/c1-10(2)18-14(19)9-13(17-15(18)20)16-11(3)12-7-5-4-6-8-12/h4-11,16H,1-3H3,(H,17,20)/t11-/m0/s1

InChI Key

RLCLASQCAPXVLM-NSHDSACASA-N

Smiles

CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O

InChI

InChI=1S/C15H19N3O2/c1-10(2)18-14(19)9-13(17-15(18)20)16-11(3)12-7-5-4-6-8-12/h4-11,16H,1-3H3,(H,17,20)/t11-/m0/s1

Property Name	Value
Molecular Formula	C15H19N3O2
Molecular Weight	273.34
AlogP	2.29
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	66.89
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C15H19N3O2

Molecular Weight

273.34

AlogP

2.29

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

66.89

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

20.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Rattus norvegicus	-	600	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Rattus norvegicus

600

Resources	Reference
ChEMBL	CHEMBL4297517
DrugBank	DB14921
FDA SRS	QX45B99R3J
Guide to Pharmacology	11265
PubChem	117761397
SureChEMBL	SCHEMBL16320785

Resources

Reference

ChEMBL

CHEMBL4297517

DrugBank

DB14921

FDA SRS

QX45B99R3J

Guide to Pharmacology

11265

PubChem

117761397

SureChEMBL

SCHEMBL16320785

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

MAVACAMTEN

Structure

Physicochemical Descriptors

Pharmacology

Cross References