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Compound Detail

CHEMBL1910936

MK3207
🧪 Phase II
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🧪 Phase II
O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1910936
Name MK3207
Phase Phase II
Structure Type MOL
InChI Key AZAANWYREOQRFB-SETSBSEESA-N

Known Names

MK 3207 Mk-3207 Mk3207
7
Targets
14
Activities
3
Assay Types
6
PK Parameters
20
Publications
3
Known Names
1
Indications
1
Mechanisms

Molecular Properties

557.6
MW (Da)
3.77
ALogP
5
HBA
3
HBD
103.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C31H29F2N5O3
MW 557.60
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -0.67

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Calcitonin gene-related peptide type 1 receptor antagonist ANTAGONIST Calcitonin gene-related peptide type 1 receptor ✓ ✓

Indications

Migraine Disorders

Activity Summary

Ki 10 meas. best 10.77
EC50 3 meas. best 9.1
IC50 1 meas. best 9.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 10.77 10.0025 0.0 4
Calcitonin gene-related peptide type 1 receptor
CHEMBL3798
 Ki 10.68 10.68 0.0 2
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1
CHEMBL2107838
 Ki 10.66 10.66 0.0 1
Calcitonin gene-related peptide 1
CHEMBL5293
 Ki 10.62 10.62 0.0 1
Calcitonin gene-related peptide 1
CHEMBL5293
 IC50 9.92 9.92 0.1 1
Rhesus monkey
CHEMBL614875
 EC50 9.1 8.625 0.8 2
Calcitonin gene-related peptide type 1 receptor
CHEMBL4755
 Ki 8.0 8.0 10.0 2
Rattus norvegicus
CHEMBL376
 EC50 4.24 4.24 58000.0 1

Pharmacokinetic Data

Parameter Value Units Species
Fu 0.096 - Macaca mulatta
Fu 0.061 - Canis lupus familiaris
Fu 0.094 - Homo sapiens
Fu 0.0084 - Rattus norvegicus
Fu 0.096 - Macaca mulatta
T1/2 0.9833 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.017 nM 10.77 Binding affinity to CGRP (unknown origin) 31740056
Calcitonin gene-related peptide type 1 receptor Ki = 0.021 nM 10.68 Antagonist activity at human CGRP receptor 23632269
Calcitonin gene-related peptide type 1 receptor Ki = 0.021 nM 10.68 Displacement of [125I]-hCGRP from human CGRP receptor expressed in HEK293 cells 24900761
Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 Ki = 0.022 nM 10.66 Displacement of [125I]CGRP from human recombinant CALCRL/RAMP1 receptor expresse... 22607672
Calcitonin gene-related peptide 1 Ki = 0.024 nM 10.62 Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell me... 21982500
Unchecked Ki = 0.024 nM 10.62 Displacement of [125I]CGRP from CGRP receptor in rhesus monkey cerebellum after ... 22607672
Unchecked Ki = 0.024 nM 10.62 Binding affinity to rhesus monkey CGRP receptor 24960305
Calcitonin gene-related peptide 1 IC50 = 0.12 nM 9.92 Inhibition of human CGRP receptor expressed in huamn HEK293 cells coexpressing C... 21982500
Rhesus monkey EC50 = 0.8 nM 9.1 Antimigraine activity in iv dosed rhesus monkey assessed as inhibition of capsai... 22607672
Rhesus monkey EC50 = 7.0 nM 8.15 Inhibition of capsaicin-induced dermal vasodilation in rhesus monkey model by la... 24960305
Unchecked Ki = 10.0 nM 8.0 Displacement of [125I]CGRP from CGRP receptor in dog brain membrane after 3 hrs 22607672
Calcitonin gene-related peptide type 1 receptor Ki = 10.0 nM 8.0 Displacement of [125I]CGRP from CGRP receptor in rat brain membrane after 3 hrs 22607672
Calcitonin gene-related peptide type 1 receptor Ki = 10.0 nM 8.0 Binding affinity to rat CGRP receptor 24960305
Rattus norvegicus EC50 = 58000.0 nM 4.24 Antimigraine activity in iv dosed rat assessed as inhibition of capsaicin-induce... 22607672

Literature References

PubMed DOI Target Context # Activities
24960305 10.1021/jm500364u Homo sapiens 5
24960305 10.1021/jm500364u Unchecked 5
22607672 10.1016/j.bmcl.2012.04.105 Unchecked 4
22607672 10.1016/j.bmcl.2012.04.105 Plasma 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
21982500 10.1016/j.bmcl.2011.09.056 Calcitonin gene-related peptide 1 2
24960305 10.1021/jm500364u Calcitonin gene-related peptide type 1 receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
24900761 10.1021/ml400199p Calcitonin gene-related peptide type 1 receptor 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
22607672 10.1016/j.bmcl.2012.04.105 Rattus norvegicus 2
24900761 10.1021/ml400199p Unchecked 1
24900761 10.1021/ml400199p No relevant target 1
24900761 10.1021/ml400199p LLC-PK1 1
24900761 10.1021/ml400199p ADMET 1
31740056 10.1016/j.ejmech.2019.111826 Unchecked 1
24900761 10.1021/ml400199p ATP-dependent translocase ABCB1 1
22607672 10.1016/j.bmcl.2012.04.105 Rhesus monkey 1
22607672 10.1016/j.bmcl.2012.04.105 Calcitonin gene-related peptide type 1 receptor 1

Data from ChEMBL 36 via Core Engine