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Compound Detail

CHEMBL542103

NEVANIMIBE HYDROCHLORIDE
🧪 Phase II
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🧪 Phase II
CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(N(C)C)cc2)CCCC1.Cl

Basic Information

ChEMBL ID CHEMBL542103
Name NEVANIMIBE HYDROCHLORIDE
Phase Phase II
Structure Type MOL
InChI Key SDOOGTHIDFZUNM-UHFFFAOYSA-N
Parent Compound CHEMBL46423
Active Moiety CHEMBL46423

Known Names

Atr-101 ATR-101 HYDROCHLORIDE Nevanimibe hydrochloride PD 132301-02 PD-132301 HYDROCHLORIDE PD-132301-02 PD-132301-2 PD132301-02 PD132301-2
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
9
Known Names
2
Indications

Molecular Properties

421.6
MW (Da)
6.63
ALogP
2
HBA
2
HBD
44.4
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -imibe
USAN Year 2017

Extended Properties

Molecular Formula C27H40ClN3O
MW 458.09
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.95

Indications

Adrenal Hyperplasia, Congenital Cushing Syndrome

Activity Summary

IC50 2 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.28 7.28 52.0 1
Acyl-CoA:cholesterol acyltransferase
CHEMBL6141
IC50 7.28 7.28 52.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8201599 10.1021/jm00037a016 Rattus norvegicus 31
8201599 10.1021/jm00037a016 No relevant target 3
8201599 10.1021/jm00037a016 Acyl-CoA:cholesterol acyltransferase 1
36473091 10.1021/acs.jmedchem.2c01265 Unchecked 1
36473091 10.1021/acs.jmedchem.2c01265 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine