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Compound Detail

CHEMBL3969714

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CCCC1(C(O)c2cccc([C@H]3[C@H](O)CC(=O)[C@@H]3C/C=C\CCCC(=O)NCCO)c2)CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3969714
Phase Preclinical
Structure Type MOL
InChI Key BQTKCNWHZNZDKI-IWRVPISGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
3.95
ALogP
5
HBA
4
HBD
106.9
PSA (Ų)
0.26
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H41NO5
MW 471.64
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 1.20

Data from ChEMBL 36 via Core Engine