U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H19NO2
Molecular Weight 305.3704
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CKD-712

SMILES

OC1=C(O)C=C2[C@H](CC3=CC=CC4=C3C=CC=C4)NCCC2=C1

InChI

InChIKey=YGCQFKVNIBDJFW-SFHVURJKSA-N
InChI=1S/C20H19NO2/c22-19-11-15-8-9-21-18(17(15)12-20(19)23)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,11-12,18,21-23H,8-10H2/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H19NO2
Molecular Weight 305.3704
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P09601
Gene ID: 3162.0
Gene Symbol: HMOX1
Target Organism: Homo sapiens (Human)
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:32:50 GMT 2023
Edited
by admin
on Sat Dec 16 11:32:50 GMT 2023
Record UNII
PW8215U0ZU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CKD-712
Common Name English
CKD 712
Code English
6,7-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-(1-NAPHTHALENYLMETHYL)-, (1S)-
Systematic Name English
(1S)-1-(1-NAPHTHYLMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-6,7-DIOL
Systematic Name English
Code System Code Type Description
CAS
626252-75-3
Created by admin on Sat Dec 16 11:32:50 GMT 2023 , Edited by admin on Sat Dec 16 11:32:50 GMT 2023
PRIMARY
FDA UNII
PW8215U0ZU
Created by admin on Sat Dec 16 11:32:50 GMT 2023 , Edited by admin on Sat Dec 16 11:32:50 GMT 2023
PRIMARY
PUBCHEM
9861304
Created by admin on Sat Dec 16 11:32:50 GMT 2023 , Edited by admin on Sat Dec 16 11:32:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID701026703
Created by admin on Sat Dec 16 11:32:50 GMT 2023 , Edited by admin on Sat Dec 16 11:32:50 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET->INHIBITOR OF EXPRESSION
SALT/SOLVATE -> PARENT
TARGET->INHIBITOR OF EXPRESSION
Related Record Type Details
ACTIVE MOIETY
CKD-712 showed organ-protective effect by reducing serum glutamate-oxaloacetate transaminase, glutamate-pyruvate transferase, blood urea nitrogen, and creatinine levels. CKD-712 also prevented histological damage to the lung and liver. In this same model, CKD-712 showed anti-inflammatory effects through decreases in tumor necrosis factor-.ALPHA. and interleukin-6 in the blood and reduced translocation of nuclear factor-.KAPPA.B to the nuclei of lung cells. CKD-712 administration also diminished infiltration of leukocytes into the lung and liver. Taken together, these results show that CKD-712 has excellent potential as an effective medicine for sepsis.
ACTIVE MOIETY
The activation of ERK, JNK, p38, IRF3 and Akt was measured by western blotting. CKD-712 inhibited the NF-.KAPPA.B signaling triggered by LPS. The activation of ERK, JNK, p38 or IRF3 was not inhibited by CKD-712. On the contrary the activation of these molecules was augmented slightly. The activation of Akt with stimulation of LPS was also enhanced with CKD-712 pre-treatment at lower concentration, but was inhibited at higher concentration. We suggest that during TLR4 signaling CKD-712 inhibits NF-.KAPPA.B activation. However, CKD-712 augmented the activation of Akt as well as Map kinases.