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Compound Detail

CHEMBL3733986

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COCC1CCCN1CCCCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3733986
Phase Preclinical
Structure Type MOL
InChI Key QFQNIJYBDUHLKS-VIUFCWKLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

530.5
MW (Da)
4.22
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H36BrN3O3
MW 530.51
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine