Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL296468

BMS-387032
Phase I
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Phase I
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL296468
Name BMS-387032
Phase Phase I
Structure Type MOL
InChI Key OUSFTKFNBAZUKL-UHFFFAOYSA-N

Known Names

Bms-387032 Bms387032 Sns 032 SNS-032
108
Targets
257
Activities
3
Assay Types
30
PK Parameters
20
Publications
4
Known Names
5
Indications
3
Mechanisms

Molecular Properties

380.5
MW (Da)
3.66
ALogP
7
HBA
2
HBD
80.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C17H24N4O2S2
MW 380.54
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.68

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Cyclin-dependent kinase 2 inhibitor INHIBITOR Cyclin-dependent kinase 2 ✓ ✓
Cyclin-dependent kinase 7 inhibitor INHIBITOR Cyclin-dependent kinase 7 ✓ ✓
Cyclin-dependent kinase 9 inhibitor INHIBITOR Cyclin-dependent kinase 9 ✓ ✓

Indications

Leukemia, Lymphocytic, Chronic, B-Cell Lymphoma, Mantle-Cell Multiple Myeloma Neoplasms Neoplasms

Activity Summary

Kd 150 meas. best 8.77
IC50 91 meas. best 9.0
Ki 16 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CDK9/cyclin T1
CHEMBL2111389
 IC50 9.0 8.313 1.0 10
Cyclin-dependent kinase-like 5
CHEMBL1163112
 Kd 8.77 8.77 1.7 1
Cyclin-dependent kinase 17
CHEMBL5790
 Kd 8.7 8.16 2.0 3
Cyclin-dependent kinase 9
CHEMBL3116
 IC50 8.4 7.3343 4.0 7
Cyclin-dependent kinase 9
CHEMBL3116
 Ki 8.4 8.2 4.0 2
Unchecked
CHEMBL612545
 IC50 8.22 7.024 6.0 5
Cyclin-dependent kinase 16
CHEMBL4597
 Kd 8.15 7.75 7.1 3
CDK2/Cyclin A1
CHEMBL3038470
 IC50 7.68 7.68 21.0 1
Cyclin-dependent kinase 13
CHEMBL1795192
 Kd 7.64 7.045 23.0 2
Glycogen synthase kinase-3 alpha
CHEMBL2850
 Kd 7.55 7.27 28.0 3
Cyclin-dependent kinase 7
CHEMBL3055
 Kd 7.51 7.0067 31.0 3
Cyclin-dependent kinase 9
CHEMBL3116
 Kd 7.47 7.2367 34.0 3
Glycogen synthase kinase-3 beta
CHEMBL262
 Kd 7.43 7.1267 37.0 3
Cyclin-dependent kinase 2/cyclin E1
CHEMBL1907605
 IC50 7.42 7.345 38.0 4
Cyclin-dependent kinase 2
CHEMBL301
 IC50 7.42 7.1164 38.0 11
Cyclin-dependent kinase 2
CHEMBL301
 Ki 7.42 7.42 38.0 1
CDK2/Cyclin A2
CHEMBL3038469
 IC50 7.42 7.3733 38.0 3
Cyclin-dependent kinase-like 2
CHEMBL5728
 Kd 7.39 7.39 41.0 1
Cyclin-dependent kinase 18
CHEMBL5316
 Kd 7.36 7.36 44.0 2
Cyclin-dependent kinase 2/cyclin E
CHEMBL2094126
 IC50 7.32 6.32 48.0 3
Cyclin-dependent kinase 11A
CHEMBL5416
 Kd 7.32 7.32 48.0 2
Cyclin-dependent kinase 5
CHEMBL4036
 Ki 7.3 7.3 50.1 1
Cyclin-dependent kinase 1/cyclin B1
CHEMBL1907602
 IC50 7.28 6.4571 52.0 7
Jurkat
CHEMBL397
 IC50 7.28 7.28 53.0 1
Cyclin-dependent kinase 3
CHEMBL4442
 Kd 7.25 7.25 56.0 2
Cyclin-dependent kinase 7/ cyclin H
CHEMBL2111288
 IC50 7.21 7.21 62.0 4
CDK7/Cyclin H/MNAT1
CHEMBL3038473
 IC50 7.21 7.0825 62.0 4
Cyclin-dependent kinase 7
CHEMBL3055
 IC50 7.21 7.018 62.0 5
Cyclin-dependent kinase 4
CHEMBL331
 Kd 7.18 6.58 66.0 3
Cyclin-dependent kinase 2
CHEMBL301
 Kd 7.16 7.0033 69.0 3
Cyclin-dependent kinase 4
CHEMBL331
 IC50 7.16 6.595 69.0 2
RPMI-8226
CHEMBL614882
 IC50 7.1 6.9633 79.0 3
A2780
CHEMBL614004
 IC50 7.02 7.02 95.0 2
Cyclin-dependent kinase 11B
CHEMBL5808
 Kd 7.01 7.01 98.0 2
Mitogen-activated protein kinase 15
CHEMBL5198
 Kd 6.92 6.92 120.0 2
Trypanosoma brucei
CHEMBL612849
 IC50 6.92 6.92 120.0 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
 Ki 6.9 6.9 125.9 1
Cyclin-dependent kinase 7
CHEMBL3055
 Ki 6.9 6.9 125.9 1
Cyclin-dependent kinase 6
CHEMBL2508
 Kd 6.85 6.85 142.0 1
Serine/threonine-protein kinase ICK
CHEMBL1163126
 Kd 6.82 6.82 150.0 1
Maternal embryonic leucine zipper kinase
CHEMBL4578
 Ki 6.8 6.8 158.5 1
Cyclin-dependent kinase 12
CHEMBL3559692
 Kd 6.78 6.78 167.0 1
MOLT-4
CHEMBL614177
 IC50 6.76 6.76 173.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
 Kd 6.7 6.7 200.0 2
Cyclin-dependent kinase 8
CHEMBL5719
 Ki 6.7 6.7 199.5 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
 IC50 6.64 6.64 230.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
 Ki 6.6 6.6 251.2 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
 Ki 6.6 6.6 251.2 1
Serine/threonine-protein kinase 36
CHEMBL4312
 Kd 6.58 6.58 260.0 2
Cyclin-dependent kinase 5/CDK5 activator 1
CHEMBL1907600
 IC50 6.47 6.47 340.0 3

Pharmacokinetic Data

Parameter Value Units Species
AUC 1522.16 ng.hr.mL-1 Mus musculus
AUC 1826.59 ng.hr.mL-1 Mus musculus
AUC 2397.4 ng.hr.mL-1 Rattus norvegicus
AUC 799.13 ng.hr.mL-1 Canis lupus familiaris
AUC 1510.0 ng.hr.mL-1 Mus musculus
AUC 434.0 ng.hr.mL-1 Mus musculus
CL 81.0 mL.min-1.kg-1 Mus musculus
CL 64.0 mL.min-1.kg-1 Rattus norvegicus
CL 9.4 mL.min-1.kg-1 Canis lupus familiaris
CL 55.0 mL.min-1.kg-1 Mus musculus
Cmax 1300.0 nM Mus musculus
Cmax 1400.0 nM Mus musculus
Cmax 520.0 nM Rattus norvegicus
Cmax 330.0 nM Canis lupus familiaris
Cmax 5860.09 nM Mus musculus
Cmax 722.66 nM Mus musculus
F 100.0 % Mus musculus
F 31.0 % Rattus norvegicus
F 28.0 % Canis lupus familiaris
F 31.0 % Rattus norvegicus
F 14.0 % Mus musculus
F 31.0 % Rattus norvegicus
MRT 3.5 hr Mus musculus
MRT 2.8 hr Mus musculus
MRT 3.7 hr Rattus norvegicus
MRT 6.3 hr Canis lupus familiaris
T1/2 2.5 hr Mus musculus
T1/2 4.8 hr Mus musculus
T1/2 5.3 hr Rattus norvegicus
T1/2 7.0 hr Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CDK9/cyclin T1 IC50 = 1.0 nM 9.0 Inhibition of CDK9/Cyclin T1 (unknown origin) using ULight MBP peptide as substr... 24102143
Cyclin-dependent kinase-like 5 Kd = 1.7 nM 8.77 Binding constant for CDKL5 kinase domain 22037378
Cyclin-dependent kinase 17 Kd = 2.0 nM 8.7 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
CDK9/cyclin T1 IC50 = 4.0 nM 8.4 Inhibition of CDK9/Cyclin T 18926699
Cyclin-dependent kinase 9 Ki = 4.0 nM 8.4 Inhibition of CDK9 (unknown origin) 23252711
CDK9/cyclin T1 IC50 = 4.0 nM 8.4 Inhibition of CDK9/Cyclin T (unknown origin) 19169685
CDK9/cyclin T1 IC50 = 4.0 nM 8.4 Inhibition of CDK9/cyclin T1 (unknown origin) 35814933
Cyclin-dependent kinase 9 IC50 = 4.0 nM 8.4 Inhibition of CDK9 (unknown origin) 35235745
CDK9/cyclin T1 IC50 = 4.0 nM 8.4 Inhibition of CDK9/Cyclin T (unknown origin) 35485642
Cyclin-dependent kinase 9 IC50 = 4.0 nM 8.4 Inhibition of CDK9 (unknown origin) 35814933
CDK9/cyclin T1 IC50 = 4.0 nM 8.4 Inhibition of recombinant human full length C-terminal His6-tagged CDK9/cyclin T... 27171036
CDK9/cyclin T1 IC50 = 4.0 nM 8.4 Inhibition of human CDK9 (2 to 372 residues)/cyclin T1 (2 to 726 residues) expre... 32866383
Cyclin-dependent kinase 9 IC50 = 4.0 nM 8.4 Inhibition of CDK9 (unknown origin) 28911822
CDK9/cyclin T1 IC50 = 6.0 nM 8.22 Inhibition of recombinant human full-length His-tagged CDK9/Cyclin T1 expressed ... 32502343
Unchecked IC50 = 6.0 nM 8.22 Inhibition of CDK2/Cyclin A (unknown origin) using ULight MBP peptide as substra... 24102143
Cyclin-dependent kinase 16 Kd = 7.1 nM 8.15 Binding constant for PCTK1 kinase domain 18183025
Cyclin-dependent kinase 16 Kd = 7.1 nM 8.15 Binding constant for PCTK1 kinase domain 22037378
CDK9/cyclin T1 IC50 = 7.821 nM 8.11 Inhibition of CDK9/CyclinT1 (unknown origin) by ADP-Glo kinase assay 36054949
Cyclin-dependent kinase 9 Ki = 10.0 nM 8.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 17 Kd = 13.0 nM 7.89 Binding constant for full-length PCTK2 18183025

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5303300 HEK-293T 304
- 10.6019/CHEMBL5303300 U2OS 304
- 10.6019/CHEMBL5303300 Fibroblast 304
- 10.6019/CHEMBL4689842 Fibroblast 262
- 10.6019/CHEMBL4689842 U2OS 261
- 10.6019/CHEMBL4689842 HEK-293T 260
15027863 10.1021/jm0305568 Mus musculus 18
19169685 10.1007/s00280-008-0921-5 RPMI-8226 18
22037378 10.1038/nbt.1990 Tyrosine-protein kinase ABL1 15
19169685 10.1007/s00280-008-0921-5 Cyclin-dependent kinase 9 14
22037378 10.1038/nbt.1990 Epidermal growth factor receptor 12
22037378 10.1038/nbt.1990 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 10
18183025 10.1038/nbt1358 Epidermal growth factor receptor 10
- 10.6019/CHEMBL5303304 Fibroblast 10
- 10.6019/CHEMBL5303304 U2OS 10
35925880 10.1021/acs.jmedchem.2c00257 CWR22R 9
35925880 10.1021/acs.jmedchem.2c00257 Cyclin-dependent kinase 9 9
18842409 10.1016/j.bmcl.2008.09.073 Mus musculus 9
26254279 10.18632/oncotarget.4214 Cyclin-dependent kinase 2 9
- 10.6019/CHEMBL5303304 HEK-293T 8

Data from ChEMBL 36 via Core Engine