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Compound Detail

CHEMBL3733984

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CC(CCCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3733984
Phase Preclinical
Structure Type MOL
InChI Key OAGMSGLZGWQTJU-IJQZUKMQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

500.5
MW (Da)
4.60
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H34BrN3O2
MW 500.48
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.64

Data from ChEMBL 36 via Core Engine