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Compound Detail

CHEMBL196003

PROMEGESTONE
🧪 Phase II
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🧪 Phase II
CCC(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C

Basic Information

ChEMBL ID CHEMBL196003
Name PROMEGESTONE
Phase Phase II
Structure Type MOL
InChI Key QFFCYTLOTYIJMR-XMGTWHOFSA-N

Known Names

Promegestona Promegestone Surgestone
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
16
Publications
3
Known Names

Molecular Properties

326.5
MW (Da)
5.18
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.70
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -gest-

Extended Properties

Molecular Formula C22H30O2
MW 326.48
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 1.80

ATC Classification

G03DB07
promegestone
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM

Activity Summary

IC50 2 meas. best 9.63
Kd 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
IC50 9.63 9.63 0.2 1
Progesterone receptor
CHEMBL208
Kd 9.4 9.4 0.4 1
Androgen receptor
CHEMBL3072
IC50 5.88 5.88 1318.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
2897467 10.1021/jm00401a015 Glucocorticoid receptor 7
7830275 10.1021/jm00002a014 Progesterone receptor 3
2897467 10.1021/jm00401a015 Progesterone receptor 1
2897467 10.1021/jm00401a015 Androgen receptor 1
2897467 10.1021/jm00401a015 Mineralocorticoid receptor 1
8487253 10.1021/jm00061a002 Progesterone receptor 1
8487253 10.1021/jm00061a002 Mineralocorticoid receptor 1
8487253 10.1021/jm00061a002 Glucocorticoid receptor 1
8487253 10.1021/jm00061a002 No relevant target 1
7830275 10.1021/jm00002a014 No relevant target 1
16134935 10.1021/jm050403f Androgen receptor 1
20355713 10.1021/jm100052k Progesterone receptor 1
926114 10.1021/jm00219a006 Progesterone receptor 1
30144697 10.1016/j.ejmech.2018.08.006 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine