EcoDrugPlus


Synonyms	Adavivint Lorecivivint SM-04690 SM04690 Sm04690
Status
Molecule Category	Free-form
UNII	42EK42WHI5

Synonyms

Adavivint

Lorecivivint

SM-04690

SM04690

Sm04690

Status

Molecule Category

Free-form

UNII

42EK42WHI5


InChI Key	AQDWDWAYVBQMAM-UHFFFAOYSA-N
Smiles	CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5cncc(-c6cccc(F)c6)c5[nH]4)c3c2)c1
InChI	InChI=1S/C29H24FN7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)

InChI Key

AQDWDWAYVBQMAM-UHFFFAOYSA-N

Smiles

CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5cncc(-c6cccc(F)c6)c5[nH]4)c3c2)c1

InChI

InChI=1S/C29H24FN7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)

Property Name	Value
Molecular Formula	C29H24FN7O
Molecular Weight	505.56
AlogP	6.35
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	112.24
Molecular species	NEUTRAL
Aromatic Rings	6.0
Heavy Atoms	38.0

Property Name

Value

Molecular Formula

C29H24FN7O

Molecular Weight

505.56

AlogP

6.35

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

6.0

Polar Surface Area

112.24

Molecular species

NEUTRAL

Aromatic Rings

6.0

Heavy Atoms

38.0

Resources	Reference
ChEMBL	CHEMBL4297639
DrugBank	DB14883
FDA SRS	42EK42WHI5
Guide to Pharmacology	9620
PubChem	135565709
SureChEMBL	SCHEMBL15302155

Resources

Reference

ChEMBL

CHEMBL4297639

DrugBank

DB14883

FDA SRS

42EK42WHI5

Guide to Pharmacology

9620

PubChem

135565709

SureChEMBL

SCHEMBL15302155

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

LORECIVIVINT

Structure

Physicochemical Descriptors

Cross References