BMS-986020

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Synonyms
Status
Molecule Category Free-form
UNII 38CTP01B4L

Structure

InChI Key GQBRZBHEPUQRPL-LJQANCHMSA-N
Smiles Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1
InChI
InChI=1S/C29H26N2O5/c1-18-25(30-28(34)35-19(2)20-6-4-3-5-7-20)26(36-31-18)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29(16-17-29)27(32)33/h3-15,19H,16-17H2,1-2H3,(H,30,34)(H,32,33)/t19-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H26N2O5
Molecular Weight 482.54
AlogP 6.74
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 101.66
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
Lysophosphatidic acid receptor Edg-2 antagonist ANTAGONIST PubMed ClinicalTrials PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 7
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- 170-570 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 170-570 - - 7

Cross References

Resources Reference
ChEMBL CHEMBL4297270
DrugBank DB14948
FDA SRS 38CTP01B4L
Guide to Pharmacology 9498
PubChem 49792850
SureChEMBL SCHEMBL344742
ZINC ZINC000113624125
CONTENTS