RAD-140

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Synonyms
Status
Molecule Category Free-form
UNII 4O87Q44KNC

Structure

InChI Key XMBUPPIEVAFYHO-KPZWWZAWSA-N
Smiles Cc1c(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)O)ccc(C#N)c1Cl
InChI
InChI=1S/C20H16ClN5O2/c1-11-16(8-7-15(10-23)17(11)21)24-18(12(2)27)20-26-25-19(28-20)14-5-3-13(9-22)4-6-14/h3-8,12,18,24,27H,1-2H3/t12-,18+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H16ClN5O2
Molecular Weight 393.83
AlogP 3.98
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 118.76
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 3
- 750 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
0.1 - - 7 -

Cross References

Resources Reference
ChEMBL CHEMBL1672635
DrugBank DB13939
FDA SRS 4O87Q44KNC
SureChEMBL SCHEMBL1363683
ZINC ZINC000066097792
CONTENTS