General Information of the Compound
Compound ID
CP0391658
Compound Name
10-chloro-2,11-dimethyl-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole
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Structure
Formula
C17H21ClN2
Molecular Weight
288.822
Canonical SMILES
CC1C2CN(C)CCC2Cc2[nH]c3cccc(Cl)c3c12
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InChI
InChI=1S/C17H21ClN2/c1-10-12-9-20(2)7-6-11(12)8-15-16(10)17-13(18)4-3-5-14(17)19-15/h3-5,10-12,19H,6-9H2,1-2H3
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InChIKey
WSIMKDRRKSGKNF-UHFFFAOYSA-N
Physicochemical Property
logP
4.0488
Rotatable Bonds
0
Heavy Atom Count
20
Polar Areas
19.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 57395049
ChEMBL ID
CHEMBL1922250
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat Homo sapiens (Human)  1
1
IC50 = 700 nM
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