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Compound Detail

CHEMBL1187856

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Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@@H]2C=C(Br)Br)N3C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187856
Phase Preclinical
Structure Type MOL
InChI Key LCJLSRDQLLTWNK-ZJIFWQFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.2
MW (Da)
5.19
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.66
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21Br2N
MW 399.17
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.48

Data from ChEMBL 36 via Core Engine