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Compound Detail

CHEMBL1183274

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CC(C)Oc1cccc(CC(=O)N2CCCC(CC[N+]3(C)CCC4(CC3)NC(=O)Cc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183274
Phase Preclinical
Structure Type MOL
InChI Key BPUBHHAJFVYDJL-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

663.7
MW (Da)
7.08
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H46Cl2N3O3+
MW 663.71
Aromatic Rings 3
Heavy Atoms 46
NP-Likeness -0.40

Data from ChEMBL 36 via Core Engine