General
Preferred name
BI-3406
Synonyms
P&D ID
PD127514
CAS
2230836-55-0
Tags
free of charge
available
probe
Probe info
Probe type
P&D approved
experimental probe
Probe selectivity
protein-selective
Probe sources
Chemical Probes.org
High-quality chemical probes
opnMe Portal
Probe targets
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION BI-3406 (compound I-6) is an orally active, highly potent and selective inhibitor of the interaction between KRAS and Son of Sevenless 1 (SOS1) with an IC50 of 6 nM. BI-3406 potently reduces the formation of GTP-loaded KRAS, and inhibits MAPK pathway signaling. BI-3406 has anticancer activity[1][2].
PRICE 247
DESCRIPTION BI-3406 is a potent, selective, and orally bioavailable small-molecule that binds to the catalytic domain of SOS Ras/Rac guanine nucleotide exchange factor 1 (SOS1) and disrupts its interaction with KRAS . Blocking this protien-protein interaction is being explored as a novel mechanism to combat KRAS-driven cancers, and offers the advantage of providing anti-tumour activity that is independent of KRAS mutation status. BI-3406 is a useful molecular probe. It was further optimised to generate the clinical lead BI-1701963 (awaiting disclosure of chemical structure). (GtoPdb)
MOA Inhibitor (Chemical Probes.org)
DESCRIPTION We share a highly potent and selective Son of sevenless 1 (SOS1)::Kirsten rat sarcoma viral oncogene (KRAS) protein interaction inhibitor for research on any disease indications. The small molecule inhibitor BI-3406 binds to the catalytic site of SOS1, inhibiting the interaction with RAS‐GDP. This significantly reduces formation of GTP-loaded KRAS (activated KRAS), thereby inhibiting downstream MAPK signaling. The SOS1::KRAS inhibitor shows pharmacokinetic (PK) properties that are suitable for in vivo testing in rodent species but is expected to have low brain penetration.1 (opnMe Portal)
DESCRIPTION BI-3406 is an orally active, highly potent and selective inhibitor of the interaction between KRAS and Son of sevenless homolog 1 with IC50= 4 nM. (Enamine Bioactive Compounds)
DESCRIPTION BI-3406 is an orally active, highly potent and selective between KRAS and Son of Sevenless 1 (SOS1) interaction inhibitor(IC50 : 6 nM),with anticancer activity. (TargetMol Bioactive Compound Library)
Cell lines
11
Organisms
0
Compound Sets
11
Cayman Chemical Bioactives
35261
Chemical Probes.org
bi-3406
CZ-OPENSCREEN Bioactive Library
Enamine Bioactive Compounds
EBC-216023
EUbOPEN Chemogenomics Library
EUB0001729
Guide to Pharmacology
12061
High-quality chemical probes
PD127514
MedChem Express Bioactive Compound Library
HY-125817
opnMe Portal
sos1-kras-inhibitor-bi-3406
Selleckchem Bioactive Compound Library
bi-3406
TargetMol Bioactive Compound Library
T12979
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
462.19
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
3
cLogP
4.89
TPSA
91.52
Fraction CSP3
0.39
Chiral centers
2.0
Largest ring
6.0
QED
0.5
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
KRAS-SOS1
MAPK
p38 MAPK
Ras
SOS1
Kras
Pathway
GPCR/G protein
MAPK/ERK Pathway
Target class
Enzyme
Target subclass
Nucleotide exchange factor
Control
BI-0178
Recommended Cell Concentration
1 uM
Source data