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Compound Detail

CHEMBL2005186

BELUMOSUDIL
💊 Approved Drug
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💊 Approved Drug
CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2005186
Name BELUMOSUDIL
Phase Approved
Structure Type MOL
InChI Key GKHIVNAUVKXIIY-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Belumosudil KD-025 KD025 Rock2 inhibitor kd025 Slx-2119 free base
10
Targets
43
Activities
3
Assay Types
0
PK Parameters
20
Publications
5
Known Names
10
Indications
1
Mechanisms

Molecular Properties

452.5
MW (Da)
4.82
ALogP
6
HBA
3
HBD
104.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2021
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

First in Class
USAN Stem -dil
USAN Year 2020

Extended Properties

Molecular Formula C26H24N6O2
MW 452.52
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.91

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Rho-associated protein kinase 2 inhibitor INHIBITOR Rho-associated protein kinase 2 ✓ ✓

Indications

Immune System Diseases Bronchiolitis Obliterans Syndrome Graft vs Host Disease Idiopathic Pulmonary Fibrosis Psoriasis Psoriasis Scleroderma, Diffuse Autoimmune Diseases Liver Diseases Multiple Myeloma

ATC Classification

L04AA48
belumosudil
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: IMMUNOSUPPRESSANTS

Activity Summary

Ki 21 meas. best 7.4
IC50 20 meas. best 7.22
Kd 2 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rho-associated protein kinase 2
CHEMBL2973
 Ki 7.4 7.2633 40.0 6
Rho-associated protein kinase 1
CHEMBL3231
 Ki 7.4 6.2171 40.0 7
Rho-associated protein kinase 2
CHEMBL2973
 IC50 7.22 6.685 60.0 12
Rho-associated protein kinase 2
CHEMBL2973
 Kd 7.19 7.19 65.0 1
Casein kinase II subunit alpha
CHEMBL3629
 Ki 7.0 7.0 100.0 1
Tyrosine-protein kinase Blk
CHEMBL2250
 Ki 6.0 6.0 1000.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
 Ki 5.6 5.6 2511.9 1
Serine/threonine-protein kinase 3
CHEMBL4708
 Ki 5.6 5.6 2511.9 1
Dual specificity protein kinase CLK4
CHEMBL4203
 Ki 5.5 5.5 3162.3 1
Serine/threonine-protein kinase 17A
CHEMBL4525
 Ki 5.5 5.5 3162.3 1
Rho-associated protein kinase 1
CHEMBL3231
 IC50 5.49 4.8588 3259.5 8
Aurora kinase B
CHEMBL2185
 Ki 5.3 5.3 5011.9 1
Dual specificity protein kinase CLK2
CHEMBL4225
 Ki 5.3 5.3 5011.9 1
Rho-associated protein kinase 1
CHEMBL3231
 Kd 5.13 5.13 7400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rho-associated protein kinase 1 Ki = 40.0 nM 7.4 Inhibition of ROCK1 (unknown origin) 29969256
Rho-associated protein kinase 2 Ki = 40.0 nM 7.4 ROCK1 and ROCK2 Compound Selectivity: Dose response curves for Rho-kinase inhibi... -
Rho-associated protein kinase 2 Ki = 40.0 nM 7.4 Kinase Inhibition Assay: Kinase inhibition can be determined using an IMAP® assa... -
Rho-associated protein kinase 2 Ki = 40.0 nM 7.4 Z′-LYTE Kinase Assay: Purified active ROCK1 and ROCK2 were obtained from Invitro... -
Rho-associated protein kinase 2 Ki = 40.0 nM 7.4 ROCK1 and ROCK2 Compound Selectivity: Dose response curves for Rho-kinase inhibi... -
Rho-associated protein kinase 2 IC50 = 60.0 nM 7.22 Inhibition of ROCK2 (unknown origin) 33481605
Rho-associated protein kinase 2 IC50 = 60.0 nM 7.22 Inhibition of ROCK2 (unknown origin) 26486225
Rho-associated protein kinase 2 Kd = 65.0 nM 7.19 Competition Binding Assay (ATP 10 uM) : Compounds were tested using an 11-point ... -
Rho-associated protein kinase 2 IC50 = 100.0 nM 7.0 Inhibition of ROCK2 (unknown origin) 29969256
Casein kinase II subunit alpha Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 2 Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 2 IC50 = 105.0 nM 6.98 Inhibition of ROCK2 (unknown origin) 36439976
Rho-associated protein kinase 2 Ki = 105.0 nM 6.98 Inhibition of ROCK2 (unknown origin) 32805407
Rho-associated protein kinase 2 IC50 = 105.0 nM 6.98 Inhibition of ROCK2 (unknown origin) 36940432
Rho-associated protein kinase 2 IC50 = 105.0 nM 6.98 Inhibition of human ROCK2 34388381
Rho-associated protein kinase 2 IC50 = 110.0 nM 6.96 Inhibition of ROCK2 (unknown origin) 37943013
Rho-associated protein kinase 2 IC50 = 119.5 nM 6.92 Inhibition of ROCK2 (unknown origin) by HTRF assay 37943013
Rho-associated protein kinase 1 Ki = 500.0 nM 6.3 ROCK1 and ROCK2 Compound Selectivity: Dose response curves for Rho-kinase inhibi... -
Rho-associated protein kinase 1 Ki = 500.0 nM 6.3 Kinase Inhibition Assay: Kinase inhibition can be determined using an IMAP® assa... -
Rho-associated protein kinase 1 Ki = 500.0 nM 6.3 Z′-LYTE Kinase Assay: Purified active ROCK1 and ROCK2 were obtained from Invitro... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
37943013 10.1021/acs.jmedchem.3c01297 Rho-associated protein kinase 1 2
37943013 10.1021/acs.jmedchem.3c01297 Rho-associated protein kinase 2 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
33481605 10.1021/acs.jmedchem.0c01511 Rho-associated protein kinase 1 1
37943013 10.1021/acs.jmedchem.3c01297 Unchecked 1
36940432 10.1021/acs.jmedchem.2c01753 Rho-associated protein kinase 1 1
26486225 10.1021/acs.jmedchem.5b00683 Rho-associated protein kinase 1 1
26486225 10.1021/acs.jmedchem.5b00683 Rho-associated protein kinase 2 1
34388381 10.1016/j.ejmech.2021.113742 Rho-associated protein kinase 2 1
34388381 10.1016/j.ejmech.2021.113742 Rho-associated protein kinase 1 1
36439976 10.1039/d2md00206j Rho-associated protein kinase 2 1
33481605 10.1021/acs.jmedchem.0c01511 Rho-associated protein kinase 2 1
28042452 10.1039/C6MD00287K Solute carrier family 2, facilitated glucose transporter member 1 1
32805407 10.1016/j.bmcl.2020.127474 Rho-associated protein kinase 1 1
32805407 10.1016/j.bmcl.2020.127474 Rho-associated protein kinase 2 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
29969256 10.1021/acs.jmedchem.8b00294 Rho-associated protein kinase 1 1

Data from ChEMBL 36 via Core Engine