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Compound Detail

CHEMBL107430

NRX195183
🧪 Phase II
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🧪 Phase II
CC1(C)CCC(C)(C)c2c1cc(C(=O)Nc1cc(F)c(C(=O)O)c(F)c1)c(O)c2Cl

Basic Information

ChEMBL ID CHEMBL107430
Name NRX195183
Phase Phase II
Structure Type MOL
InChI Key PNAWUIKCVQSLFG-UHFFFAOYSA-N

Known Names

AGN 195183 AGN-195183 Irx-5183 IRX5183 NRX-195183 Nrx195183 VTP-195183 VTP-5183
8
Targets
9
Activities
3
Assay Types
0
PK Parameters
19
Publications
8
Known Names
1
Indications
1
Mechanisms

Molecular Properties

437.9
MW (Da)
5.62
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C22H22ClF2NO4
MW 437.87
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.19

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Retinoic acid receptor alpha agonist AGONIST Retinoic acid receptor alpha

Indications

Leukemia, Promyelocytic, Acute

Activity Summary

IC50 7 meas. best 8.85
EC50 1 meas. best 6.7
Kd 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
T47D
CHEMBL614361
IC50 8.85 8.85 1.4 1
Retinoic acid receptor alpha
CHEMBL2055
Kd 8.52 8.52 3.0 1
SK-BR-3
CHEMBL613834
IC50 7.96 7.96 11.0 1
Retinoic acid receptor alpha
CHEMBL2055
EC50 6.7 6.7 200.0 1
Cytochrome P450 2D6
CHEMBL289
IC50 4.6 4.6 25000.0 1
Cytochrome P450 1A2
CHEMBL3356
IC50 4.6 4.6 25000.0 1
Cytochrome P450 2C9
CHEMBL3397
IC50 4.6 4.6 25000.0 1
Cytochrome P450 3A4
CHEMBL340
IC50 4.6 4.6 25000.0 1
Cytochrome P450 2C19
CHEMBL3622
IC50 4.6 4.6 25000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12372520 10.1016/s0960-894x(02)00647-9 Retinoic acid receptor alpha 4
12372520 10.1016/s0960-894x(02)00647-9 Retinoic acid receptor beta 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
29288071 10.1016/j.bmc.2017.12.015 Unchecked 2
12372520 10.1016/s0960-894x(02)00647-9 SK-BR-3 2
12372520 10.1016/s0960-894x(02)00647-9 T47D 2
12372520 10.1016/s0960-894x(02)00647-9 Retinoic acid receptor gamma 2
29288071 10.1016/j.bmc.2017.12.015 Cytochrome P450 3A4 1
29288071 10.1016/j.bmc.2017.12.015 Cytochrome P450 2D6 1
29288071 10.1016/j.bmc.2017.12.015 Cytochrome P450 2C19 1
29288071 10.1016/j.bmc.2017.12.015 Cytochrome P450 2C9 1
29288071 10.1016/j.bmc.2017.12.015 Cytochrome P450 1A2 1
29288071 10.1016/j.bmc.2017.12.015 Retinoic acid receptor gamma 1
29288071 10.1016/j.bmc.2017.12.015 Retinoic acid receptor beta 1
29288071 10.1016/j.bmc.2017.12.015 Retinoic acid receptor alpha 1
29288071 10.1016/j.bmc.2017.12.015 COS-7 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine