INDIGO

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1G5BK41P4F

Structure
InChI Key COHYTHOBJLSHDF-BUHFOSPRSA-N
Smile O=C1/C(=C2\Nc3ccccc3C2=O)Nc2ccccc21
InChI
InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H10N2O2
Molecular Weight 262.27
AlogP 2.81
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 58.2
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 1000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 28000 - - -
Enzyme Oxidoreductase
- 60000 - - -
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 90000 - - -
Other cytosolic protein
- 1000 - - -
Transcription factor
1700 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Promyelocytic, Acute 3 D015473 ClinicalTrials
Dermatitis, Atopic 2 D003876 ClinicalTrials
Psoriasis 2 D011565 ClinicalTrials
Anus Neoplasms 2 D001005 ClinicalTrials
Psoriasis 2 D011565 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL599552
FDA SRS 1G5BK41P4F
SureChEMBL SCHEMBL42280
ZINC ZINC000100014196
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