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Compound Detail

CHEMBL1194916

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CC(=O)[C@H]1CCC2C3CC=C4CC(/N=C(\N)Nc5ccccc5C)CC[C@]4(C)C3CC[C@@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194916
Phase Preclinical
Structure Type MOL
InChI Key BFUBGEOPCXZUKU-QMIWCYQISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

447.7
MW (Da)
6.26
ALogP
2
HBA
2
HBD
67.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H41N3O
MW 447.67
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness 1.04

Data from ChEMBL 36 via Core Engine