General
Preferred name
INDIGO
Synonyms
Indigotin ()
Indigofera orthocarpa whole ()
True indigo whole ()
Nilini whole ()
NSC-8645 ()
Indigofera tinctoria ()
Nilika whole ()
Ci 73000 ()
Indigofera tinctoria whole ()
Ao201 ()
Indigo blue ()
Nila whole ()
Indigo whole ()
C.I.73000 ()
Nili whole ()
P&D ID
PD087246
CAS
68651-46-7
11129-41-2
482-89-3
Tags
available
drug candidate
Drug Status
investigational
Max Phase
3.0
Drug indication
acute promyelocytic leukemia
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
40
Properties
(calculated by RDKit )
Molecular Weight
262.07
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
2
cLogP
2.81
TPSA
58.2
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
3
ene_five_het_E(44)
[#7]-[#6]=!@[#6]-2-[#6](=[#8])-c:1:c:c:c:c:c:1-[!#6&!#1]-2
PAINS Family B
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Target
Dyes
Source data
