General
Preferred name
SAFINGOL
Synonyms
SPC 100270 hydrochloride ()
L-threo-dihydrosphingosine hydrochloride ()
SAFINGOL HYDROCHLORIDE ()
Threo-dihydrosphingosine,l- ()
SPC-100270 ()
NSC-714503 ()
Safingol hcl ()
SPC-100271 ()
P&D ID
PD017401
CAS
15639-50-6
139755-79-6
Tags
available
drug candidate
Drug indication
Psoriasis vulgaris
Neoplasm
Drug Status
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 556
DESCRIPTION Safingol is a lyso-sphingolipid protein kinase C (PKC) inhibitor. It binds to and inhibits the regulatory phorbol-binding domain of PKC. It has the potential for the treatment of solid tumors. (BOC Sciences Bioactive Compounds)
DESCRIPTION Safingol hydrochloride (L-threo-dihydrosphingosine hydrochloride) is a specific inhibitor of protein kinase C. It induces autophagy in solid tumor cells and cancer cell death by inhibiting the PKC and PI3-kinase pathways.BIIB 722 Mesylate is a selective sodium-hydrogen exchange inhibitor. Safingol hydrochloride inhibits PKC and PI3k. (TargetMol Bioactive Compound Library)
Compound Sets
8
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
DrugBank
DrugMAP
LSP-MoA library (Laboratory of Systems Pharmacology)
ReFrame library
TargetMol Bioactive Compound Library
External IDs
44
Properties
(calculated by RDKit )
Molecular Weight
301.3
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
16
Ring Count
0
Aromatic Ring Count
0
cLogP
4.15
TPSA
66.48
Fraction CSP3
1.0
Chiral centers
2.0
Largest ring
0.0
QED
0.38
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Custom attributes
(extracted from source data)
Target
PKC
PI3K
Pathway
Chromatin/Epigenetic
Cytoskeletal Signaling
PI3K/Akt/mTOR signaling
Source data