General Information of the Compound
Compound ID
CP0080099
Compound Name
9H-beta-Carboline
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Synonyms
.beta.-Carboline
2,9-Diazafluorene
2-Azacarbazole
244-63-3
244-66-6
2H-Pyrido[3,4-b]indole
94HMA1I78O
9H-Beta-carboline
9H-Pyrido(3,4-B)indole
9H-Pyrido[3,4-B]indole
9h-
AIFRHYZBTHREPW-UHFFFAOYSA-N
AK-25655
BRN 0128414
CCRIS 6915
CHEBI:109895
CHEMBL275224
Carbazoline
Carbazoline (VAN)
EINECS 205-959-0
MLS000069651
N-8700
N-8720
NORHARMANE
NSC 84417
Norharman
Norharman, 98%
Norharmane
Norharmane, 98%
Prestwick_363
SMR000058207
SR-01000000213
UNII-94HMA1I78O
b-carboline
beta Carboline
beta-Carboline
zlchem 7
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Structure
Formula
C11H8N2
Molecular Weight
168.199
Canonical SMILES
c1ccc2c(c1)[nH]c1cnccc21
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InChI
InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
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InChIKey
AIFRHYZBTHREPW-UHFFFAOYSA-N
CAS
244-63-3
Physicochemical Property
logP
2.7161
Rotatable Bonds
0
Heavy Atom Count
13
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
13

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 64961
SID: 12015776
ChEMBL ID
CHEMBL275224
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01239, Inhibitor of nuclear factor kappa-B kinase subunit alpha
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 15000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( NORHARMANE )
Drug Name NORHARMANE
Target(s)
GABA(A) receptor alpha-1 (GABRA1)
 Target Info 
Inhibitor