General
Preferred name
PD011764
Synonyms
1,4-diaminoanthracene-9,10-dione ()
1,4-diamino-9,10-dihydroanthracene-9,10-dione ()
1,4-Diaminoanthraquinone ()
P&D ID
PD011764
CAS
128-95-0
Tags
available
drug candidate
Drug indication
Discovery agent
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 1,4-Diaminoanthraquinone is an anthraquinone derivative that is a potent and selective protein kinase CK1 delta inhibitor, IC50=330nM. (Enamine Bioactive Compounds)
DESCRIPTION Inhibition of CK1delta; Inhibition of human adenosine 2A receptor (TargetMol Bioactive Compound Library)
Compound Sets
4
DrugMAP
DMIHYKG
Enamine Bioactive Compounds
EBC-47352
NIH Mechanistic Set
TargetMol Bioactive Compound Library
2248-1538
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
238.07
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
2
cLogP
1.63
TPSA
86.18
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.58
Structural alerts
2
anthranil_one_A(38)
c:1:c:c:c:c(:c:1-[#7&!H0;!H1,!$([#7]-[#6]=[#8])])-[#6](-[#6]:[#6])=[#8]
PAINS Family B
quinone_A(370)
[!#6&!#1]=[#6]1[#6]=,:[#6][#6](=[!#6&!#1])[#6]=,:[#6]1
PAINS Family A
Custom attributes
(extracted from source data)
Source data