EcoDrugPlus


Synonyms	IPI-926 IPI-926 hydrochloride Patidegib hydrochloride Saridegib hydrochloride
Status
Molecule Category	Salt-form
UNII	ZL14FCA5PK

Synonyms

IPI-926

IPI-926 hydrochloride

Patidegib hydrochloride

Saridegib hydrochloride

Status

Molecule Category

Salt-form

UNII

ZL14FCA5PK


InChI Key	LICVMCOINZNZNW-BATHLIJTSA-N
Smiles	CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](NS(C)(=O)=O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C.Cl
InChI	InChI=1S/C29H48N2O3S.ClH/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29;/h17,19-23,25-27,30-31H,6-16H2,1-5H3;1H/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-;/m0./s1

InChI Key

LICVMCOINZNZNW-BATHLIJTSA-N

Smiles

CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](NS(C)(=O)=O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C.Cl

InChI

InChI=1S/C29H48N2O3S.ClH/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29;/h17,19-23,25-27,30-31H,6-16H2,1-5H3;1H/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-;/m0./s1

Property Name	Value
Molecular Formula	C29H49ClN2O3S
Molecular Weight	541.24
AlogP	5.03
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	67.43
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	35.0

Property Name

Value

Molecular Formula

C29H49ClN2O3S

Molecular Weight

541.24

AlogP

5.03

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

67.43

Molecular species

BASE

Aromatic Rings

0.0

Heavy Atoms

35.0

Resources	Reference
ChEMBL	CHEMBL2105764
FDA SRS	ZL14FCA5PK
PubChem	42642200

Resources

Reference

ChEMBL

CHEMBL2105764

FDA SRS

ZL14FCA5PK

PubChem

42642200

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...

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Last update: Monday, 3 November 2025

PATIDEGIB HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References