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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21N5O2
Molecular Weight 351.4023
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-135807

SMILES

CN1CCC[C@@H]1CC2=CNC3=C2C=C(NC4=C(C=CC=N4)[N+]([O-])=O)C=C3

InChI

InChIKey=YPFIYPNOWVPAPR-OAHLLOKOSA-N
InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H21N5O2
Molecular Weight 351.4023
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

Description

CP 135807 is a selective 5-HT1D receptor agonist. Preclinical development for migraine was proposed but no development report released. This compound is used for neuroscience research.

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
3.1 nM [IC50]
33.0 nM [IC50]
1.0 nM [Ki]
2.2 nM [Ki]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
3 mg/kg
Route of Administration: Other
In Vitro Use Guide
The effect of various compounds on the [35S]GTPgammaS binding mediated by gp5-HT1B receptors – pEC50 = 8.38 (EC50=4.1 nM).
Substance Class Chemical
Record UNII
TE348FQ6DA
Record Status Validated (UNII)
Record Version