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Compound Detail

CHEMBL3733976

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O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)NCCc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3733976
Phase Preclinical
Structure Type MOL
InChI Key DTOZGFVOMKKWQD-UEQSERJNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

514.5
MW (Da)
3.93
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.37
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 C27H36BrN3O2
MW 514.51
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness -0.36

Data from ChEMBL 36 via Core Engine