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Compound Detail

CHEMBL207225

INDOLYLPROPIONIC ACID
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O=C(O)CCc1c[nH]c2ccccc12

Basic Information

ChEMBL ID CHEMBL207225
Name INDOLYLPROPIONIC ACID
Phase Preclinical
Structure Type MOL
InChI Key GOLXRNDWAUTYKT-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
1
PK Parameters
16
Publications
0
Known Names

Molecular Properties

189.2
MW (Da)
2.19
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H11NO2
MW 189.21
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness 0.09

Activity Summary

IC50 1 meas.
Ki 1 meas.

Pharmacokinetic Data

Parameter Value Units Species
F 30.0 % Mus musculus

Literature References

PubMed DOI Target Context # Activities
16640342 10.1021/jm060027e Mixed cortical cells 3
16640342 10.1021/jm060027e Radical scavenging activity 2
16640342 10.1021/jm060027e Rotifers 2
31627992 10.1016/j.bmcl.2019.126731 Mycobacterium tuberculosis 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
16640342 10.1021/jm060027e No relevant target 1
17418579 10.1016/j.bmc.2007.03.040 ADMET 1
17418579 10.1016/j.bmc.2007.03.040 No relevant target 1
19338303 10.1021/jm9000874 Kynurenine--oxoglutarate transaminase 1 1
19817384 10.1021/jm900823s Unchecked 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
31627992 10.1016/j.bmcl.2019.126731 HepG2 1
31627992 10.1016/j.bmcl.2019.126731 ADMET 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine