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Compound Detail

CHEMBL1189266

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CC(C)CC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(CCC(C)O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189266
Phase Preclinical
Structure Type MOL
InChI Key OJHDBBXDBNHARM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

493.6
MW (Da)
3.96
ALogP
5
HBA
2
HBD
82.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H39N3O4
MW 493.65
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine