EcoDrugPlus


Synonyms	Icapamespib PU-HZ151
Status
Molecule Category	Free-form
UNII	447591A1PU

Synonyms

Icapamespib

PU-HZ151

Status

Molecule Category

Free-form

UNII

447591A1PU


InChI Key	UYODNJZBUUEXPC-UHFFFAOYSA-N
Smiles	CC(C)(C)CNCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21
InChI	InChI=1S/C19H23IN6O2S/c1-19(2,3)8-22-4-5-26-17-15(16(21)23-9-24-17)25-18(26)29-14-7-13-12(6-11(14)20)27-10-28-13/h6-7,9,22H,4-5,8,10H2,1-3H3,(H2,21,23,24)

InChI Key

UYODNJZBUUEXPC-UHFFFAOYSA-N

Smiles

CC(C)(C)CNCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21

InChI

InChI=1S/C19H23IN6O2S/c1-19(2,3)8-22-4-5-26-17-15(16(21)23-9-24-17)25-18(26)29-14-7-13-12(6-11(14)20)27-10-28-13/h6-7,9,22H,4-5,8,10H2,1-3H3,(H2,21,23,24)

Property Name	Value
Molecular Formula	C19H23IN6O2S
Molecular Weight	526.4
AlogP	3.53
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	100.11
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C19H23IN6O2S

Molecular Weight

526.4

AlogP

3.53

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

100.11

Molecular species

BASE

Aromatic Rings

3.0

Heavy Atoms

29.0

Resources	Reference
ChEMBL	CHEMBL4650317
FDA SRS	447591A1PU

Resources

Reference

ChEMBL

CHEMBL4650317

FDA SRS

447591A1PU

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ICAPAMESPIB

Structure

Physicochemical Descriptors

Cross References