BMS-986020

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 38CTP01B4L

Structure
InChI Key GQBRZBHEPUQRPL-LJQANCHMSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Lysophosphatidic acid receptor Edg-2 antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C8
- 3500 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 5500 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 7
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) EDG receptor
6.7 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- 158.49-170 - - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 1995.26-4800 - - -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 19952.62-22000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Idiopathic Pulmonary Fibrosis 2 D054990 ClinicalTrials
Scleroderma, Localized 2 D012594 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1257213-50-5
ChEMBL CHEMBL4297270
DrugBank DB14948
FDA SRS 38CTP01B4L
Guide to Pharmacology 9498
PubChem 49792850
SureChEMBL SCHEMBL344742
ZINC ZINC000113624125
CONTENTS