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Compound Detail

CHEMBL228281

NORSTICTIC ACID
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Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)C(O)OC3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL228281
Name NORSTICTIC ACID
Phase Preclinical
Structure Type MOL
InChI Key IEVVSJFLBYOUCJ-UHFFFAOYSA-N
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

372.3
MW (Da)
2.01
ALogP
9
HBA
3
HBD
139.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H12O9
MW 372.29
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 2.20

Activity Summary

IC50 5 meas. best 6.26
Ki 3 meas. best 6.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier organic anion transporter family member 1B3
CHEMBL1743121
 Ki 6.38 6.38 420.0 1
Solute carrier organic anion transporter family member 1B3
CHEMBL1743121
 IC50 6.26 6.26 549.5 1
Solute carrier organic anion transporter family member 1B1
CHEMBL1697668
 Ki 6.2 6.2 630.0 1
Solute carrier organic anion transporter family member 1B1
CHEMBL1697668
 IC50 5.94 5.94 1148.2 1
Mediator of RNA polymerase II transcription subunit 25
CHEMBL5169169
 IC50 5.64 5.64 2300.0 1
14 kDa phosphohistidine phosphatase
CHEMBL5169200
 IC50 5.1 5.1 7900.0 1
14 kDa phosphohistidine phosphatase
CHEMBL5169200
 Ki 4.05 4.05 90000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Solute carrier organic anion transporter family member 1B3 Ki = 420.0 nM 6.38 Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells 23571415
Solute carrier organic anion transporter family member 1B3 IC50 = 549.54 nM 6.26 pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO ce... 23571415
Solute carrier organic anion transporter family member 1B1 Ki = 630.0 nM 6.2 Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells 23571415
Solute carrier organic anion transporter family member 1B1 IC50 = 1148.15 nM 5.94 pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO ce... 23571415
Mediator of RNA polymerase II transcription subunit 25 IC50 = 2300.0 nM 5.64 Inhibition of Med25 transcriptional activation in human MCF-7 cells by fluoresce... 35859860
14 kDa phosphohistidine phosphatase IC50 = 7900.0 nM 5.1 Inhibition of PHPT1 (unknown origin) using DiFMUP as fluorogenic substrate incub... 35859860
14 kDa phosphohistidine phosphatase Ki = 90000.0 nM 4.05 Inhibition of PHPT1 (unknown origin) assessed as inhibition constant measured up... 35859860

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0305-1978(94)90001-9 Spodoptera littoralis 6
35859860 10.1021/acsmedchemlett.2c00053 14 kDa phosphohistidine phosphatase 5
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 3
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 3
17629329 10.1021/np070145k Unchecked 1
27641467 10.1016/j.bmcl.2016.09.019 Translin-associated protein X 1
35859860 10.1021/acsmedchemlett.2c00053 Mediator of RNA polymerase II transcription subunit 25 1
35859860 10.1021/acsmedchemlett.2c00053 Tyrosine-protein phosphatase non-receptor type 1 1
35859860 10.1021/acsmedchemlett.2c00053 Phospholysine phosphohistidine inorganic pyrophosphate phosphatase 1

Data from ChEMBL 36 via Core Engine