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Compound Detail

CHEMBL37676

APC-100
Phase I
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Phase I
Cc1c(C)c2c(c(C)c1O)CCC(C)(C)O2

Basic Information

ChEMBL ID CHEMBL37676
Name APC-100
Phase Phase I
Structure Type MOL
InChI Key SEBPXHSZHLFWRL-UHFFFAOYSA-N

Known Names

2,2,5,7,9-pentamethyl-6-chromanol Apc-100 Chromane c1 NSC-226236
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
4
Known Names
1
Indications
1
Mechanisms

Molecular Properties

220.3
MW (Da)
3.42
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C14H20O2
MW 220.31
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 1.55

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Androgen Receptor antagonist ANTAGONIST Androgen receptor

Indications

Prostatic Neoplasms, Castration-Resistant

Activity Summary

IC50 2 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
IC50 6.77 6.77 170.0 1
Radical scavenging activity
CHEMBL613712
IC50 6.77 6.77 170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2329571 10.1021/jm00167a032 Rattus norvegicus 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
15546710 10.1016/j.bmcl.2004.10.006 Rattus norvegicus 1
16686532 10.1021/jm0510530 Radical scavenging activity 1
19232450 10.1016/j.ejmech.2009.01.017 Mycobacterium tuberculosis 1
19232450 10.1016/j.ejmech.2009.01.017 Mycobacterium tuberculosis variant bovis BCG 1
19232450 10.1016/j.ejmech.2009.01.017 Vero 1
19232450 10.1016/j.ejmech.2009.01.017 Escherichia coli 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