CIFORADENANT

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H21N7O3
Molecular Weight	407.4258
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CC1=CC=C(O1)C2=C3N=NN(CC4=NC(CO[C@H]5CCOC5)=CC=C4)C3=NC(N)=N2

InChI

InChIKey=KURQKNMKCGYWRJ-HNNXBMFYSA-N

InChI=1S/C20H21N7O3/c1-12-5-6-16(30-12)17-18-19(24-20(21)23-17)27(26-25-18)9-13-3-2-4-14(22-13)10-29-15-7-8-28-11-15/h2-6,15H,7-11H2,1H3,(H2,21,23,24)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H21N7O3
Molecular Weight	407.4258
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Adenosine A2a receptor 31	Antagonist 2,849

C_max

Value	Dose	Analyte	Population
4.29 μg/mL	200 mg single, oral	CIFORADENANT plasma	Homo sapiens
5.59 μg/mL	200 mg 1 times / day multiple, oral	CIFORADENANT plasma	Homo sapiens
3.54 μg/mL	100 mg single, oral	CIFORADENANT plasma	Homo sapiens
4.06 μg/mL	100 mg 2 times / day multiple, oral	CIFORADENANT plasma	Homo sapiens

T_1/2

Value	Dose	Analyte	Population
10.2 h	200 mg 1 times / day multiple, oral	CIFORADENANT plasma	Homo sapiens
3 h	100 mg single, oral	CIFORADENANT plasma	Homo sapiens
10.6 h	100 mg 2 times / day multiple, oral	CIFORADENANT plasma	Homo sapiens

PubMed

PubMed

Show entries

Title	Date	PubMed
Inhibition of the adenosine A2a receptor modulates expression of T cell coinhibitory receptors and improves effector function for enhanced checkpoint blockade and ACT in murine cancer models.	2018 Aug	29923026

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Substance Class	Chemical
Record UNII	8KFO2187CP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3H-1,2,3-TRIAZOLO(4,5-D)PYRIMIDIN-5-AMINE, 7-(5-METHYL-2-FURANYL)-3-((6-((((3S)-TETRAHYDRO-3-FURANYL)OXY)METHYL)-2-PYRIDINYL)METHYL)-

Preferred Name

English

CIFORADENANT

Official Name

English

CIFORADENANT [USAN]

Common Name

English

V81444

Code

English

CPI-444

Code

English

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Classification Tree

Code System

Code

Immunotherapeutic Agent

NCI_THESAURUS

C2139

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Code System

Code

Type

Description

PUBCHEM

44537963

PRIMARY

ChEMBL

CHEMBL3545288

PRIMARY

CAS

1202402-40-1

PRIMARY

SMS_ID

100000181100

PRIMARY

USAN

GH-60

PRIMARY

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Related Record

Type

Details


					ZUL9E7IDX0

ADENOSINE RECEPTOR A3

TARGET->WEAK INHIBITOR

Qualification:

Ki

Amount:

2498 NANOMOLAR (average)


					9J6QGP7WEA

ADENOSINE RECEPTOR A1

TARGET -> INHIBITOR

Qualification:

Ki

Amount:

192 NANOMOLAR (average)


					Y154T023U0

ADENOSINE RECEPTOR A2A

TARGET -> INHIBITOR

Qualification:

Ki

Amount:

3.4 NANOMOLAR (average)


					EX4X9IXA0A

ADENOSINE RECEPTOR A2B

TARGET->WEAK INHIBITOR

Qualification:

Ki

Amount:

3975 NANOMOLAR (average)

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Related Record

Type

Details


					8KFO2187CP

CIFORADENANT

ACTIVE MOIETY

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SMILES

InChI

Approval Year

Targets

Cmax

T1/2

PubMed

C_max

T_1/2