General
Preferred name
INDIGO
Synonyms
Indigotin ()
Nilika whole ()
Nilini whole ()
Indigofera orthocarpa whole ()
C.I.73000 ()
Nila whole ()
True indigo whole ()
Indigofera tinctoria ()
NSC-8645 ()
Ao201 ()
Ci 73000 ()
Indigo whole ()
Nili whole ()
Indigofera tinctoria whole ()
Indigo blue ()
P&D ID
PD087246
CAS
482-89-3
68651-46-7
11129-41-2
Tags
available
drug candidate
Drug Status
experimental
investigational
Max Phase
3.0
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
4
ChEMBL Drugs
DrugBank
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
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
