EcoDrugPlus


Synonyms	Avadomide CC-122 CC122
Status
Molecule Category	UNKNOWN
UNII	28DZS29F59

Synonyms

Avadomide

CC-122

CC122

Status

Molecule Category

UNKNOWN

UNII

28DZS29F59


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	RSNPAKAFCAAMBH-UHFFFAOYSA-N
Smiles	Cc1nc2cccc(N)c2c(=O)n1C1CCC(=O)NC1=O
InChI	InChI=1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)

InChI Key

RSNPAKAFCAAMBH-UHFFFAOYSA-N

Smiles

Cc1nc2cccc(N)c2c(=O)n1C1CCC(=O)NC1=O

InChI

InChI=1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)

Property Name	Value
Molecular Formula	C14H14N4O3
Molecular Weight	286.29
AlogP	0.26
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	107.08
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C14H14N4O3

Molecular Weight

286.29

AlogP

0.26

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

107.08

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

21.0

Resources	Reference
ChEMBL	CHEMBL3989934
DrugBank	DB14857
FDA SRS	28DZS29F59
Guide to Pharmacology	10522
PubChem	24967599
SureChEMBL	SCHEMBL282749

Resources

Reference

ChEMBL

CHEMBL3989934

DrugBank

DB14857

FDA SRS

28DZS29F59

Guide to Pharmacology

10522

PubChem

24967599

SureChEMBL

SCHEMBL282749


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

AVADOMIDE

Structure

Physicochemical Descriptors

Cross References