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Chemical profiling data

Caffeine

Accession

KCP10000078
Submission date

2025-04-28

Project Detail

Dataset detail - Accession, 프로젝트의 영문 제목, 프로젝트의 국문 제목, 프로젝트의 영문 설명, 프로젝트의 국문 설명
Accession	KAP241496
Project title	KU Pharm Collaborative AI-Driven Drug Discovery Data Lab Based on Federated Learning
Project title in Korean	KU Pharm 연합학습 기반 인공지능 신약개발 데이터 랩
Project description	The KU Pharm Collaborative AI-Driven Drug Discovery Data Lab Based on Federated Learning collects and manages high-quality pharmaceutical data while ensuring secure data sharing among stakeholders. Furthermore, it aims to enhance AI-driven insights and significantly accelerate drug development by leveraging existing data to independently develop and optimize predictive models for drug discovery.
Project description in Korean	연합학습 기반 인공지능 신약개발 데이터 랩(KU Pharm Collaborative AI-Driven Drug Discovery Data Lab Based on Federated Learning)은 고품질 제약 데이터를 수집 및 관리하며, 이해 관계자 간 안전한 데이터 공유를 보장한다. 뿐만 아니라 보유 데이터를 활용해 신약 개발을 위한 예측 모델을 자체적으로 개발하고 최적화함으로써 AI 기반의 통찰력을 강화하고 신약 개발의 속도를 크게 높이고자 한다.
Umbrella Project	KAP100012 (KU Pharm Collaborative AI-Driven Drug Discovery Data Lab Based on Federated Learning)

메타데이터 정보

메타데이터 입력

Chemical ID

DB type	CAS
Chemical ID	58-08-2

Chemical Name

Caffeine

Development Level

TRL9 (시판/ 시판 후 연구)

Description

Caffeine is one of the most widely consumed psychoactive substances globally, commonly found in coffee, tea, energy drinks, and medications

Target Name

Target Name	Adenosine A2A receptor
Uniprot ID	P29274
target Group

Mechanism of Action

Adenosine Receptor Antagonism

Targeting Disease

Targeting Disease	Central Nervous System Sensitization
Disease ID	D059333
Disease_DB	MeSH
Disease Group

Competitive compounds

해당사항 없음

Release Date

2025-04-15

Type

DMPK

SubType

BBB PAMPA

Experiment Description

BBB PAMPA

Experimental Method

방법 상동(조건 변경) PBLE : 5% / DMSO ratio : 20% Temperature : 37℃ Incubation time : 4 hours

Measurement Method

HPLC를 이용한 Donor plate와 acceptor plate의 농도 측정 및 permeability 계산

Assay material

Porcine Brain Polar Lipid Extract

Input Type

single concentration

Term

ETC - BBB permeability

Relation

Unit

ETC - 10-6cm/s

activity Value

Activity Value	9.68277856261248
Activity file

Competitive compounds Acitivity value

Competitive compounds Acitivity value	해당사항 없음
Reference Activity files

conc

Conc
Conc_unit

time

Time
Time Unit

Statistics

Statistics
Statistics Desc

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