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Compound Detail

CHEMBL1627462

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CCOc1cc2c(cc1O)C(N)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1627462
Phase Preclinical
Structure Type MOL
InChI Key RCUICZXSWYGOOK-QUZVSAKKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

331.5
MW (Da)
3.47
ALogP
4
HBA
3
HBD
75.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H29NO3
MW 331.46
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.75

Literature References

PubMed DOI Target Context # Activities
9240348 10.1021/jm9700833 HOP-62 1
9240348 10.1021/jm9700833 HCT-116 1
9240348 10.1021/jm9700833 UACC-62 1
9240348 10.1021/jm9700833 OVCAR-3 1
9240348 10.1021/jm9700833 SN12C 1
9240348 10.1021/jm9700833 DU-145 1
9240348 10.1021/jm9700833 MDA-MB-435 1
9240348 10.1021/jm9700833 Panel (Carcinoma cell lines) 1
9240348 10.1021/jm9700833 Tubulin 1

Data from ChEMBL 36 via Core Engine