General Information of the Compound
| Compound ID |
CP0015576
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| Compound Name |
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)pyridine-3-carboxamide
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| Synonyms |
431898-65-6
ACN-053038
AK547800
AKOS030526812
BCP24095
BDBM50130248
BRD-K93023739-001-02-9
CHEBI:94801
CHEMBL79004
CS-5415
CTK1D2755
DTXSID00433238
EX-A786
FT-0700478
HMS3229F21
HY-18008
J-690297
JZRMBDHPALEPDM-UHFFFAOYSA-N
KS-00000TTM
MLS006010310
MolPort-042-665-715
N-(6-Chloro-9H-beta-carbolin-8-yl)-nicotinamide
N-{6-chloro-9H-pyrido[3,4-b]indol-8-yl}pyridine-3-carboxamide
NCGC00165873-01
NCGC00165873-02
PS 1145
PS-1145
SCHEMBL1420453
SMR004701376
ZINC9090
s7691
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| Structure |
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| Formula |
C17H11ClN4O
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| Molecular Weight |
322.755
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| Canonical SMILES |
Clc1cc(NC(=O)c2cccnc2)c2[nH]c3cnccc3c2c1
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| InChI |
InChI=1S/C17H11ClN4O/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10/h1-9,21H,(H,22,23)
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| InChIKey |
JZRMBDHPALEPDM-UHFFFAOYSA-N
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01239, Inhibitor of nuclear factor kappa-B kinase subunit alpha
Protein ID: PT00877, Inhibitor of nuclear factor kappa-B kinase subunit beta
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000111 | MDA-MB-231 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 900 nM
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Clinical Information about the Compound