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Details

Stereochemistry RACEMIC
Molecular Formula C25H19N3O4
Molecular Weight 425.4361
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CID-16020046

SMILES

CC1=CC=C(C=C1)C2=NNC3=C2C(N(C3=O)C4=CC=C(C=C4)C(O)=O)C5=CC(O)=CC=C5

InChI

InChIKey=VGUQVYZXABOXCX-UHFFFAOYSA-N
InChI=1S/C25H19N3O4/c1-14-5-7-15(8-6-14)21-20-22(27-26-21)24(30)28(18-11-9-16(10-12-18)25(31)32)23(20)17-3-2-4-19(29)13-17/h2-13,23,29H,1H3,(H,26,27)(H,31,32)

HIDE SMILES / InChI

Molecular Formula C25H19N3O4
Molecular Weight 425.4361
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.15 µM [IC50]
Target ID: Q14432
Gene ID: 5139.0
Gene Symbol: PDE3A
Target Organism: Homo sapiens (Human)
4.8 null [pIC50]
Target ID: Q07343
Gene ID: 5142.0
Gene Symbol: PDE4B
Target Organism: Homo sapiens (Human)
5.0 null [pIC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:41:07 UTC 2023
Edited
by admin
on Sat Dec 16 18:41:07 UTC 2023
Record UNII
5AUY4Y2UPU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CID-16020046
Common Name English
4-(4,6-DIHYDRO-4-(3-HYDROXYPHENYL)-3-(4-METHYLPHENYL)-6-OXOPYRROLO(3,4-C)PYRAZOL-5(1H)-YL)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-(4,6-DIHYDRO-4-(3-HYDROXYPHENYL)-3-(4-METHYLPHENYL)-6-OXOPYRROLO(3,4-C)PYRAZOL-5(1H)-YL)-
Systematic Name English
Code System Code Type Description
CAS
834903-43-4
Created by admin on Sat Dec 16 18:41:07 UTC 2023 , Edited by admin on Sat Dec 16 18:41:07 UTC 2023
PRIMARY
FDA UNII
5AUY4Y2UPU
Created by admin on Sat Dec 16 18:41:07 UTC 2023 , Edited by admin on Sat Dec 16 18:41:07 UTC 2023
PRIMARY
WIKIPEDIA
CID16020046
Created by admin on Sat Dec 16 18:41:07 UTC 2023 , Edited by admin on Sat Dec 16 18:41:07 UTC 2023
PRIMARY
PUBCHEM
16020046
Created by admin on Sat Dec 16 18:41:07 UTC 2023 , Edited by admin on Sat Dec 16 18:41:07 UTC 2023
PRIMARY
EPA CompTox
DTXSID001112141
Created by admin on Sat Dec 16 18:41:07 UTC 2023 , Edited by admin on Sat Dec 16 18:41:07 UTC 2023
PRIMARY
Related Record Type Details
TARGET->LIGAND
TARGET->LIGAND
TARGET->INVERSE AGONIST