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7-Fluoro-6-isopropyl-1H-indole-2-carboxylic acid

ID: ALA4061441

Chembl Id: CHEMBL4061441

PubChem CID: 137635662

Max Phase: Preclinical

Molecular Formula: C12H12FNO2

Molecular Weight: 221.23

Molecule Type: Small molecule

Associated Items:

Bioactivity Summary Target Summary Assay Summary

Names and Identifiers

Canonical SMILES: CC(C)c1ccc2cc(C(=O)O)[nH]c2c1F

Standard InChI: InChI=1S/C12H12FNO2/c1-6(2)8-4-3-7-5-9(12(15)16)14-11(7)10(8)13/h3-6,14H,1-2H3,(H,15,16)

Standard InChI Key: RWVDYXCOBZNVGG-UHFFFAOYSA-N

EIF4A3 Tchem Eukaryotic initiation factor 4A-III (131 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EIF4A1 Tchem Eukaryotic initiation factor 4A-I (286 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EIF4A2 Tbio Eukaryotic initiation factor 4A-II (9 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DHX29 Tbio ATP-dependent RNA helicase DHX29 (17 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SNRNP200 Tchem U5 small nuclear ribonucleoprotein 200 kDa helicase (313 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Natural Product: No	Oral: No	Chemical Probe: No	Parenteral: No
Molecule Type: Small molecule	Topical: No	First In Class: No	Black Box: No
Chirality: No	Availability: No	Prodrug: No

MESH ID	MESH Heading	EFO IDs	EFO Terms	Max Phase for Indication	References

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Molecular Weight: 221.23	Molecular Weight (Monoisotopic): 221.0852	AlogP: 3.13	#Rotatable Bonds: 2
Polar Surface Area: 53.09	Molecular Species: ACID	HBA: 1	HBD: 2
#RO5 Violations: ┄	HBA (Lipinski): 3	HBD (Lipinski): 2	#RO5 Violations (Lipinski): ┄
CX Acidic pKa: 3.62	CX Basic pKa: ┄	CX LogP: 3.04	CX LogD: -0.30
Aromatic Rings: 2	Heavy Atoms: 16	QED Weighted: 0.82	Np Likeness Score: -0.42

1. Ito M, Iwatani M, Kamada Y, Sogabe S, Nakao S, Tanaka T, Kawamoto T, Aparicio S, Nakanishi A, Imaeda Y.. (2017) Discovery of selective ATP-competitive eIF4A3 inhibitors., 25 (7): [PMID:28283335] [10.1016/j.bmc.2017.02.035]

Source(1):